chempirical

Trimethylsilyl trifluoromethanesulfonate

C4H9F3O3SSiCAS 27607-77-8222.25 g/mol

Open in Covalent MOL file
SiOSOOFFF
Alkyl halide

Properties

Molecular formula
C4H9F3O3SSi
Molar mass
222.25 g/mol
Exact mass
221.9994 Da
Density
1.23 g/mL
Melting point
below 25 °C
Boiling point
140 °C
logP
1.69Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
27607-77-8
SMILES
C[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChIKey
FTVLMFQEYACZNP-UHFFFAOYSA-N
InChI
InChI=1S/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, trimethylsilyl ester
  • Methanesulfonic acid, trifluoro-, trimethylsilyl ester
  • Silanol, trimethyl-, trifluoromethanesulfonate
  • Trimethylsilyl trifluoromethylsulfonate
  • Trimethylsilyl triflate
  • Trimethylsilanol trifluoromethanesulfonate
  • Trifluoromethanesulfonic acid trimethylsilyl ester
  • Trimethylsilyl trfluoromethanesulfonate
  • TMSOTf

Work with Trimethylsilyl trifluoromethanesulfonate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-059 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-757 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-055 % similar Methyl trifluoromethanesulfonate333-27-750 % similar Trifluoromethanesulfonic anhydride358-23-650 % similar Ethyl 1,1,1-trifluoromethanesulfonate425-75-245 % similar Bis(trimethylsilyl) sulfate18306-29-144 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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