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

C₅H₉F₃O₄SSiCAS 120801-75-4250.26 g/mol

Open in Covalent MOL file

Alkyl halide Silyl ether

Properties

Molecular formula: C₅H₉F₃O₄SSi
Molar mass: 250.26 g/mol
Exact mass: 249.9943 Da
logP: 1.26Crippen estimate
Polar surface area: 60.4 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

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

Aggregated from 47 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

120801-75-4

SMILES

C[Si](C)(C)OC(=O)C(F)(F)S(=O)(=O)F

InChIKey

XHVSCKNABCCCAC-UHFFFAOYSA-N

InChI

InChI=1S/C5H9F3O4SSi/c1-14(2,3)12-4(9)5(6,7)13(8,10)11/h1-3H3

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Names and synonyms

1 names

Trimethylsilyl 2-(fluorosulfonyl)difluoroacetate

Work with Trimethylsilyl 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

Methyl 2,2-difluoro-2-(fluorosulfonyl)acetate680-15-961 % similar Trimethyl(trifluoroacetato)silane400-53-353 % similar 2,2-Difluoro-2-(fluorosulfonyl)acetic acid1717-59-543 % similar Trimethylsilyl acetate2754-27-033 % similar Trimethylsilyl trifluoromethanesulfonate27607-77-832 % similar Bis(trimethylsilyl) malonate18457-04-031 % similar Trifluoromethanesulfonyl fluoride335-05-731 % similar BSTFA25561-30-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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