3,3,3-Trifluoro-2,2-dimethylpropanoic acid

C₅H₇F₃O₂CAS 889940-13-0156.10 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₅H₇F₃O₂
Molar mass: 156.10 g/mol
Exact mass: 156.0398 Da
logP: 1.66Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

889940-13-0

SMILES

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

InChIKey

VMFSJVUPIXOCFO-UHFFFAOYSA-N

InChI

InChI=1S/C5H7F3O2/c1-4(2,3(9)10)5(6,7)8/h1-2H3,(H,9,10)

Weigh it out

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

Names and synonyms

2 names

Propanoic acid, 3,3,3-trifluoro-2,2-dimethyl-
3,3,3-Trifluoro-2,2-dimethylpropionic acid

Work with 3,3,3-Trifluoro-2,2-dimethylpropanoic 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

3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-456 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid374-35-656 % similar 2,2-Difluoropropanoic acid373-96-652 % similar Perfluoropropionic acid422-64-052 % similar Perfluorobutanoic acid375-22-452 % similar 1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-350 % similar 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-448 % similar 2,2,3,3-Tetrafluorobutanedioic acid377-38-846 % similar

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

Same formula

Isopropyl trifluoroacetate400-38-4

Elsewhere

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