Trifluoromethanesulfonic acid
An inorganic compound, CHF3O3S, 150.077 g/mol. Boiling point 162 °C @760 [mm Hg], melting point -40 °C, as published.
Identifiers
- Molecular formula
- CHF₃O₃S
- Molecular weight
- 150.077 g/mol
- Exact mass
- 149.95985 g/mol
- IUPAC name
- trifluoromethanesulfonic acid
- O=S(=O)(O)C(F)(F)F
- InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
- ITMCEJHCFYSIIV-UHFFFAOYSA-N
Measured properties
- Boiling Point
- 162 °C @760 [mm Hg]
- Melting Point
- -40 °C
- Density
- 1.696 @25 °C
Calculated properties
- Molecular weight
- 150.08 g/mol
- Exact mass
- 149.95984955 Da
- XLogP3
- 0.3
- Polar surface area
- 62.8 Ų
- Complexity
- 158
- H-bond donors
- 1
- H-bond acceptors
- 6
- logP
- 0.394
- Topological polar surface area
- 54.37 Ų
- H-bond donors
- 1
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- Molar refractivity
- 17.6036 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.4012
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 8
- Total atoms, hydrogen included
- 9
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
Sulfonic acid
Halide (C–X)
The molecule in three dimensions
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
Other names for it
The systematic name on this record is trifluoromethanesulfonic acid.
The sources also call it Triflic acid, Perfluoromethanesulfonic acid, Trifluoromethanesulphonic acid, tfmsa, Trifluoromethane sulfonic acid, TfOH, DTXSID2044397, HOTf, JE2SY203E8, Trifluormethansulfonsaeure, DTXCID0024397.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Trifluoromethanesulfonic acid. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
1,1-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
(4-Nitrophenyl)methyl 2-(4-imidazol-1-ylpiperidine-1-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate
formed as a product
C₂₁H₂₅N₅O₅S, 459.528 g/mol.
(1-Benzyl-1,2,3,4-tetrahydro-quinolin-7-yl)-(5-bromo-2-isopropyl-phenyl)-methanol
used as a reactant
C₂₆H₂₈BrNO, 450.42 g/mol.
Where these values came from
chemistry engine
What this page does not claim
Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.
Where to next
More molecules under T
The rest of this shelf, a hundred names at a time.
Molar mass calculator
Work with CHF3O3S in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Trifluoromethanesulfonic acid for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
The full record in the workstation: every atom, every bond, and the reactions it appears in.