2,2-Difluoro-2-(fluorosulfonyl)acetic acid

C₂HF₃O₄SCAS 1717-59-5178.08 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₂HF₃O₄S
Molar mass: 178.08 g/mol
Exact mass: 177.9548 Da
logP: -0.04Crippen estimate
Polar surface area: 71.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowed86.3% of notifiers
H310 Fatal in contact with skin86.3% 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

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, P501

Identifiers

CAS number

1717-59-5

SMILES

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

InChIKey

VYDQUABHDFWIIX-UHFFFAOYSA-N

InChI

InChI=1S/C2HF3O4S/c3-2(4,1(6)7)10(5,8)9/h(H,6,7)

Weigh it out

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

Names and synonyms

1 names

2-(Fluorosulfonyl)difluoroacetic acid

Work with 2,2-Difluoro-2-(fluorosulfonyl)acetic acid

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)acetate680-15-947 % similar Trimethylsilyl 2,2-difluoro-2-(fluorosulfonyl)acetate120801-75-443 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-842 % similar Trifluoroacetic acid76-05-142 % similar Trifluoromethanesulfonyl fluoride335-05-738 % similar 1-Fluoro-cyclopropanecarboxylic acid137081-41-538 % similar Rhodium (II) Trifluoroacetate dimer31126-95-138 % similar Ammonium trifluoroacetate3336-58-138 % similar

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

Elsewhere

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