chempirical

Methyl trifluoromethanesulfonate

C2H3F3O3SCAS 333-27-7164.10 g/mol

Open in Covalent MOL file
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Alkyl halideSulfonate ester

Properties

Molecular formula
C2H3F3O3S
Molar mass
164.10 g/mol
Exact mass
163.9755 Da
Boiling point
99 °C
logP
0.48Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
333-27-7
SMILES
COS(=O)(=O)C(F)(F)F
InChIKey
OIRDBPQYVWXNSJ-UHFFFAOYSA-N
InChI
InChI=1S/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3

Weigh it out

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

Names and synonyms

5 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, methyl ester
  • Methanesulfonic acid, trifluoro-, methyl ester
  • Methyl triflate
  • Trifluoromethanesulfonic acid methyl ester
  • NSC 270679

Work with Methyl 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

Trifluoromethanesulfonic anhydride358-23-657 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-850 % similar Ethyl 1,1,1-trifluoromethanesulfonate425-75-250 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-746 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-045 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-144 % similar (1,1-Dimethylethyl)dimethylsilyl 1,1,1-trifluoromethanesulfonate69739-34-043 % similar Methyl fluorosulfonate421-20-538 % similar

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

Elsewhere

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