chempirical

2,2,2-Trifluoroethyl trichloromethanesulfonate

C3H2Cl3F3O3SCAS 23199-56-6281.45 g/mol

Open in Covalent MOL file
OSOOFFFClClCl
Alkyl halideSulfonate ester

Properties

Molecular formula
C3H2Cl3F3O3S
Molar mass
281.45 g/mol
Exact mass
279.8742 Da
Boiling point
84–86.8 °C (at 20 Torr)
logP
2.22Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
23199-56-6
SMILES
O=S(=O)(OCC(F)(F)F)C(Cl)(Cl)Cl
InChIKey
GOIWZZQXWJVDOG-UHFFFAOYSA-N
InChI
InChI=1S/C3H2Cl3F3O3S/c4-3(5,6)13(10,11)12-1-2(7,8)9/h1H2

Weigh it out

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

Names and synonyms

4 names
  • Methanesulfonic acid, 1,1,1-trichloro-, 2,2,2-trifluoroethyl ester
  • Methanesulfonic acid, trichloro-, 2,2,2-trifluoroethyl ester
  • Ethanol, 2,2,2-trifluoro-, trichloromethanesulfonate
  • 2,2,2-Trifluoroethyl trichloromethanesulphonat

Work with 2,2,2-Trifluoroethyl trichloromethanesulfonate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-163 % similar 2,2,2-Trifluoroethyl methanesulfonate25236-64-047 % similar 2,2,2-Trifluoroethyl P-toluenesulfonate433-06-736 % similar 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-835 % similar Ethyl 1,1,1-trifluoromethanesulfonate425-75-233 % similar 2,2,2-Trifluoroethanesulfonyl chloride1648-99-332 % similar Fluroxene406-90-632 % similar Trifluoromethanesulfonic anhydride358-23-631 % similar

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

Elsewhere

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