chempirical

2,2,2-Trifluoroethyl methanesulfonate

C3H5F3O3SCAS 25236-64-0178.13 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
54–55 °C
logP
0.52Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
25236-64-0
SMILES
CS(=O)(=O)OCC(F)(F)F
InChIKey
ICECLJDLAVVEOW-UHFFFAOYSA-N
InChI
InChI=1S/C3H5F3O3S/c1-10(7,8)9-2-3(4,5)6/h2H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Ethanol, 2,2,2-trifluoro-, 1-methanesulfonate
  • Ethanol, 2,2,2-trifluoro-, methanesulfonate
  • 2,2,2-Trifluoroethyl methylsulfonate
  • 2,2,2-Trifluoroethyl mesylate
  • Methanesulfonic acid 2,2,2-trifluoroethyl ester

Work with 2,2,2-Trifluoroethyl methanesulfonate

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-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate160969-03-951 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-150 % similar 2,2,2-Trifluoroethyl trichloromethanesulfonate23199-56-647 % similar Busulfan55-98-146 % similar Ethyl methanesulfonate62-50-046 % similar 2,2,2-Trifluoroethyl P-toluenesulfonate433-06-742 % similar Butyl methanesulfonate1912-32-940 % similar 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-838 % similar

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

Same formula

Ethyl 1,1,1-trifluoromethanesulfonate425-75-2

Elsewhere

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