3-Chloro-2,2,3,3-tetrafluoropropanoic acid

C₃HClF₄O₂CAS 661-82-5180.48 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃HClF₄O₂
Molar mass: 180.48 g/mol
Exact mass: 179.9601 Da
logP: 1.54Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

661-82-5

SMILES

C(=O)(C(C(F)(F)Cl)(F)F)O

InChIKey

XJRMCFMZGRJXEZ-UHFFFAOYSA-N

InChI

InChI=1S/C3HClF4O2/c4-3(7,8)2(5,6)1(9)10/h(H,9,10)

Weigh it out

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

Names and synonyms

1 names

3-Chlorotetrafluoropropionic acid

Work with 3-Chloro-2,2,3,3-tetrafluoropropanoic 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

3-Bromo-4-chloropentafluorobutyric acid216393-99-666 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-864 % similar 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid336-08-356 % similar Hexafluoroglutaric acid376-73-856 % similar Perfluoropropionic acid422-64-056 % similar Perfluoroazelaic acid23453-64-754 % similar 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluorodecanedioic acid307-78-854 % similar 2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluorooctanedioic acid678-45-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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