3,3,3-Trifluoropropionic acid

C₃H₃F₃O₂CAS 2516-99-6128.05 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃H₃F₃O₂
Molar mass: 128.05 g/mol
Exact mass: 128.0085 Da
logP: 1.02Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

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

Identifiers

CAS number

2516-99-6

SMILES

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

InChIKey

KSNKQSPJFRQSEI-UHFFFAOYSA-N

InChI

InChI=1S/C3H3F3O2/c4-3(5,6)1-2(7)8/h1H2,(H,7,8)

Weigh it out

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

Work with 3,3,3-Trifluoropropionic 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

4,4,4-Trifluorobutanoic acid406-93-961 % similar 3-Hydroxy-2H,2H-perfluoro-3-methylbutanoic acid1547-36-056 % similar 2,2-Difluorobutanedioic acid665-31-656 % similar 3,3-Dimethylbutanoic acid1070-83-352 % similar 3,3-Dimethylglutaric acid4839-46-752 % similar 1,1-Cyclopentanediacetic acid16713-66-950 % similar 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid338-03-450 % similar Cyclohexanediacetic acid4355-11-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2,2-Trifluoroethyl formate32042-38-9 Methyl trifluoroacetate431-47-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook