Trichlorofluoromethane

CCl3F, 137.368 g/mol. Its structure, the values that were measured, the values that were calculated, and where each one came from.

Inorganic compound8 measured properties

Drawn from the SMILES. It shows how the atoms are connected — not a photograph of a molecule, and not its shape in space.

Identifiers

Molecular formula: CCl₃F
Molecular weight: 137.368 g/mol
Exact mass: 135.904961 g/mol
SMILES: FC(Cl)(Cl)Cl
InChI: InChI=1S/CCl3F/c2-1(3,4)5
InChIKey: CYRMSUTZVYGINF-UHFFFAOYSA-N

Open in ReactionLens Use in reaction prediction

Both are open without an account.

Measured properties

Values somebody obtained from a sample and published. Where two sources report the same property they are both shown, in the units each used — a disagreement between them is information, and averaging it away would be inventing a number neither one gave.

Boiling Point: 74.7 °F at 760 mmHg (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 23.7 °Cmeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 3-492; 24 °Cmeasured · reference compound database; 75 °Fmeasured · reference compound database; 23.7 °C @760 [mm Hg]measured · reference compound database; 75 °Fmeasured · reference compound database
Melting Point: -168 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; -110.44 °Cmeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 3-492; -111 °Cmeasured · reference compound database; -168 °Fmeasured · reference compound database; -110.44 °Cmeasured · reference compound database; -168 °Fmeasured · reference compound database
Solubility: 10 to 50 mg/mL at 64 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; Insoluble in watermeasured · Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 3-492; In water, 1,100 mg/L at 25 °Cmeasured · DuPont de Nemours Co; Freon Products Information B-2. A98825. December (1980); In water, 1300 mg/L at 20 °Cmeasured · Verschueren, K. Handbook of Environmental Data on Organic Chemicals. Volumes 1-2. 4th ed. John Wiley & Sons. New York, NY. 2001, p. 1168; Soluble in alcohol, ether, other organic solventsmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1657; Solubility in water, g/100ml at 20 °C: 0.1measured · reference compound database; (75 °F): 0.1%measured · reference compound database
Density: 1.49 at 63 °F (NTP, 1992) - Denser than water; will sinkmeasured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 1.494 at 17.2 °C/4 °C /Liquid/measured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1657; Liquid density: 1.476 g/ml at 25 °Cmeasured · Smart BE, Fernandez RE; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). New York, NY: John Wiley & Sons; Fluorinated Aliphatic Compounds. Online Posting Date: December 4, 2000; Critical density: 0.548 g/cu mmeasured · Smart BE, Fernandez RE; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). New York, NY: John Wiley & Sons; Fluorinated Aliphatic Compounds. Online Posting Date: December 4, 2000; Relative density (water = 1): 1.49measured · reference compound database; 1.47measured · reference compound database; 1.494 @ 17.2°Cmeasured · reference compound database; 1.47 (Liquid at 75 °F)measured · reference compound database; 4.74(relative gas density)measured · reference compound database
Vapor Pressure: 792 mmHg at 77 °F (NTP, 1992)measured · National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.; 803.0 [mmHg]measured · reference compound database; 803 mm Hg at 25 °Cmeasured · Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.; Vapor pressure, kPa at 20 °C: 89.0measured · reference compound database; 690 mmHgmeasured · reference compound database; 750 [mm Hg] @23.3 °Cmeasured · reference compound database; 690 mmHgmeasured · reference compound database
LogP: log Kow = 2.53measured · Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 3; 2.53measured · reference compound database; 2.26measured · reference compound database
Viscosity: Gas: 0.0105 mPa.s at 24 °C; liquid: 0.43 mPa.s at 20 °Cmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 6-229
Refractive Index: Index of refraction: 1.3865 @ 18.5 °C/Dmeasured · O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 2006., p. 1657; Index of Refraction (liquid): 1.374 at 25 °Cmeasured · Smart BE, Fernandez RE; Kirk-Othmer Encyclopedia of Chemical Technology. (2005). New York, NY: John Wiley & Sons; Fluorinated Aliphatic Compounds. Online Posting Date: December 4, 2000

Calculated properties

Derived from the structure rather than from a sample. These are reproducible and they are not measurements: a calculated partition coefficient and a measured one can differ by a long way, and where both exist they are listed apart on purpose.

logP: 2.2836calculated · chemistry engine; Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area: 0 Å²calculated · chemistry engine; Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors: 0calculated · chemistry engine; Atoms that can donate a hydrogen bond.
H-bond acceptors: 0calculated · chemistry engine; Atoms that can accept a hydrogen bond.
Rotatable bonds: 0calculated · chemistry engine; Single bonds the molecule can freely twist around.
Molar refractivity: 21.398 cm³/molcalculated · chemistry engine; Relates to the molecule's polarisability.
Fraction sp³ carbons: 1calculated · chemistry engine; Share of carbon atoms with tetrahedral bonding.
QED drug-likeness: 0.4494calculated · chemistry engine; Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

Cl Chlorine3 atoms · 77.4% by mass
F Fluorine1 atom · 13.8% by mass
C Carbon1 atom · 8.7% by mass

Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

Structure

Heavy atoms, hydrogen excluded: 5
Total atoms, hydrogen included: 5
Rings: 0
Aromatic rings: 0
Stereocentres: 0
Formal charge: 0

Functional groups

Halide (C–X)
A halogen atom attached to carbon.

Matched by structural pattern, not by a measurement.

The molecule in three dimensions

Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

Reactions it appears in

No documented reaction with a written procedure and a source involves Trichlorofluoromethane yet.

Other names for it

No systematic name is recorded.

The sources also call it Fluorotrichloromethane, trichloro(fluoro)methane, Trichloromonofluoromethane, Fluorochloroform, Algofrene type 1, Freon MF, Arcton 9, Eskimon 11, Trichlorofluorocarbon, FREON 11, Refrigerant 11, Isotron 11.

Structurally related

Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.

1,1-Dichloro-1-fluoromethanesulfenyl chloride

CCl3FS

Where these values came from

chemistry engine
structure perception

No matching record was found in the currently indexed sources (reference compound database)..

What this page does not claim

The identifiers are what the source record holds, copied rather than recomputed. Measured values are reported as their source gave them, units and all; calculated values are marked as calculated and are not measurements. Where a field is absent the page says so, because a blank cell reads as a zero and a guessed value reads as a fact.

Nothing here is a hazard assessment, a purity statement or advice about handling a sample. A flash point quoted from a safety database is a number somebody published, not a judgement by us about whether this molecule is safe for what you intend.