Trifluoromethanesulfonic acid trifluoromethyl ester

C₂F₆O₃SCAS 3582-05-6218.07 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonate ester

Properties

Molecular formula: C₂F₆O₃S
Molar mass: 218.07 g/mol
Exact mass: 217.9472 Da
logP: 1.37Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

3582-05-6

SMILES

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

InChIKey

GVZFDPPAJXHNGL-UHFFFAOYSA-N

InChI

InChI=1S/C2F6O3S/c3-1(4,5)11-12(9,10)2(6,7)8

Weigh it out

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

Names and synonyms

1 names

Trifluoromethyl trifluoromethanesulfonate

Work with Trifluoromethanesulfonic acid trifluoromethyl ester

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

Trifluoromethanesulfonic anhydride358-23-657 % similar Methyl trifluoromethanesulfonate333-27-750 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-844 % similar Ethyl trifluoromethanesulphonate425-75-244 % similar 2,2,2-Trifluoroethyl trifluoromethanesulfonate6226-25-144 % similar 2,2-Difluoroethyl trifluoromethanesulfonate74427-22-841 % similar Bis(1,1-dimethylethyl)[[(trifluoromethyl)sulfonyl]oxy]silyl 1,1,1-trifluoromethanesulfonate85272-31-741 % similar (Trimethylsilyl)methyl trifluoromethanesulfonate64035-64-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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