2,2-Difluoroethyl trifluoromethanesulfonate

C₃H₃F₅O₃SCAS 74427-22-8214.11 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonate ester

Properties

Molecular formula: C₃H₃F₅O₃S
Molar mass: 214.11 g/mol
Exact mass: 213.9723 Da
logP: 1.12Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

74427-22-8

SMILES

C(C(F)F)OS(=O)(=O)C(F)(F)F

InChIKey

NKULBUOBGILEAR-UHFFFAOYSA-N

InChI

InChI=1S/C3H3F5O3S/c4-2(5)1-11-12(9,10)3(6,7)8/h2H,1H2

Weigh it out

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

Work with 2,2-Difluoroethyl 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 1,1,1-trifluoromethanesulfonate425-75-252 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-152 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-947 % similar Trifluoromethanesulfonic anhydride358-23-646 % similar Triisopropylsilyl trifluoromethanesulfonate80522-42-542 % similar Methyl trifluoromethanesulfonate333-27-741 % similar Trifluoromethanesulfonic acid trifluoromethyl ester3582-05-641 % similar Dicyclohexyl(trifluoromethanesulfonyloxy)borane145412-54-039 % similar

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

Elsewhere

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