Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate

C₃H₃F₃O₄SCAS 680-15-9192.11 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₃H₃F₃O₄S
Molar mass: 192.11 g/mol
Exact mass: 191.9704 Da
logP: 0.05Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

680-15-9

SMILES

COC(=O)C(F)(F)S(=O)(=O)F

InChIKey

GQJCAQADCPTHKN-UHFFFAOYSA-N

InChI

InChI=1S/C3H3F3O4S/c1-10-2(7)3(4,5)11(6,8)9/h1H3

Weigh it out

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

Work with Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate

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

Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate120801-75-461 % similar Dimethyl hexafluoroglutarate1513-62-848 % similar Dimethyl perfluorohexanedioate3107-98-048 % similar Dimethyl tetrafluorosuccinate356-36-548 % similar Dimethyl difluoromalonate379-95-348 % similar Methyl trifluoroacetate431-47-048 % similar 2,2-Difluoro-2-(fluorosulfonyl)acetic acid1717-59-547 % similar Dimethyl dodecafluorosuberate2062-20-647 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook