chempirical

Ethyl 1,1,1-trifluoromethanesulfonate

C3H5F3O3SCAS 425-75-2178.13 g/mol

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Alkyl halideSulfonate ester

Properties

Molecular formula
C3H5F3O3S
Molar mass
178.13 g/mol
Exact mass
177.9911 Da
Boiling point
115 °C
logP
0.87Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
425-75-2
SMILES
CCOS(=O)(=O)C(F)(F)F
InChIKey
UVECLJDRPFNRRQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H5F3O3S/c1-2-9-10(7,8)3(4,5)6/h2H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Methanesulfonic acid, 1,1,1-trifluoro-, ethyl ester
  • Methanesulfonic acid, trifluoro-, ethyl ester
  • Ethyl trifluoromethanesulfonate
  • Ethyl triflate
  • Ethyl trifluoromethylsulfonate
  • Trifluoromethanesulfonic acid ethyl ester

Work with Ethyl 1,1,1-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

2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-156 % similar Methyl trifluoromethanesulfonate333-27-750 % similar Trifluoromethanesulfonic anhydride358-23-650 % similar Triethylsilyl 1,1,1-trifluoromethanesulfonate79271-56-050 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-845 % similar Diethyl sulfate64-67-544 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-742 % similar Ethyl methanesulfonate62-50-041 % similar

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

Same formula

2,2,2-Trifluoroethyl methanesulfonate25236-64-0

Elsewhere

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