Trimethylsilyl triflate
An organohalide, C4H9F3O3SSi, 222.26 g/mol.
Identifiers
- Molecular formula
- C₄H₉F₃O₃SSi
- Molecular weight
- 222.26 g/mol
- Exact mass
- 221.999376 g/mol
- IUPAC name
- trimethylsilyl trifluoromethanesulfonate
- C[Si](C)(C)OS(=O)(=O)C(F)(F)F
- InChI=1S/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3
- FTVLMFQEYACZNP-UHFFFAOYSA-N
Calculated properties
- Molecular weight
- 222.26 g/mol
- Exact mass
- 221.99937634 Da
- Polar surface area
- 51.8 Ų
- Complexity
- 244
- H-bond donors
- 0
- H-bond acceptors
- 6
- logP
- 1.6875
- Topological polar surface area
- 43.37 Ų
- H-bond donors
- 0
- H-bond acceptors
- 3
- Rotatable bonds
- 2
- Molar refractivity
- 39.4058 cm³/mol
- Fraction sp³ carbons
- 1
- QED drug-likeness
- 0.5272
What it is made of
Structure
- Heavy atoms, hydrogen excluded
- 12
- Total atoms, hydrogen included
- 21
- Rings
- 0
- Aromatic rings
- 0
- Stereocentres
- 0
- Formal charge
- 0
Functional groups
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 trimethylsilyl trifluoromethanesulfonate.
The sources also call it Trimethylsilyl trifluoromethanesulfonate, Trimethylsilyl trifluoromethanesulphonate, Trimethylsilyl trifluoromethylsulfonate, Methanesulfonic acid, trifluoro-, trimethylsilyl ester, trimethylsilyltriflate, trimethylsilanol trifluoromethanesulfonate, UNII-Z84V0CBH9J, Z84V0CBH9J, TMS-TFMS, EINECS 248-565-4, trimethylsilyltrifluoromethane sulfonate.
Structurally related
Seen alongside it in reaction records
Molecules that appear in the same recorded reactions as Trimethylsilyl triflate. 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.
1,1,1-Trichloroethane
used as a reactant
C₂H₃Cl₃, 133.405 g/mol.
1,2,3,5-Tetra-O-acetyl-beta-L-ribofuranose
used as a reactant
C₁₃H₁₈O₉, 318.278 g/mol.
1,2-Dichloroethane
used as a reactant
C₂H₄Cl₂, 98.96 g/mol.
1,2,4-Triazine-3,5(2H,4H)-dione
used as a reactant
C₃H₃N₃O₂, 113.076 g/mol.
(5-Acetoxy-3,4-dibenzoyloxy-tetrahydrofuran-2-yl)methyl benzoate
used as a reactant
C₂₈H₂₄O₉, 504.491 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 C4H9F3O3SSi in a calculation, with every element's contribution shown.
Molarity calculator
Grams of Trimethylsilyl triflate for a volume and a concentration, or the concentration a mass gives.
Open in ReactionLens
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