2,2,2-Trifluoroethanesulfonyl chloride

C₂H₂ClF₃O₂SCAS 1648-99-3182.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₂ClF₃O₂S
Molar mass: 182.54 g/mol
Exact mass: 181.9416 Da
Boiling point: 65 °C (at 45 Torr)
logP: 1.12Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1648-99-3

SMILES

O=S(=O)(Cl)CC(F)(F)F

InChIKey

CXCHEKCRJQRVNG-UHFFFAOYSA-N

InChI

InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2

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Names and synonyms

5 names

Ethanesulfonyl chloride, 2,2,2-trifluoro-
Tresyl chloride
2,2,2-Trifluoroethylsulfonyl chloride
2,2,2-Trifluoroethane-1-sulfonyl chloride
2,2,2-Trifluoroethan-1-sulfonyl chloride

Work with 2,2,2-Trifluoroethanesulfonyl chloride

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

1-Chloromethanesulfonyl chloride3518-65-845 % similar Ethanesulfonyl chloride594-44-538 % similar 2-Chloroethanesulfonyl chloride1622-32-836 % similar Propanesulfonyl chloride10147-36-135 % similar 3-Chloropropanesulfonyl chloride1633-82-533 % similar 2,2,2-Trifluoroethyl trichloromethanesulfonate23199-56-632 % similar Butanesulfonyl chloride2386-60-932 % similar Trifluoromethanesulfonyl chloride421-83-032 % similar

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

Elsewhere

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