3-Hydroxy-3-methyl-4,4,4-trifluorobutyric acid

C₅H₇F₃O₃CAS 338-03-4172.10 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Carboxylic acid

Properties

Molecular formula: C₅H₇F₃O₃
Molar mass: 172.10 g/mol
Exact mass: 172.0347 Da
logP: 0.77Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

338-03-4

SMILES

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

InChIKey

JCJGOWYCFRASTM-UHFFFAOYSA-N

InChI

InChI=1S/C5H7F3O3/c1-4(11,2-3(9)10)5(6,7)8/h11H,2H2,1H3,(H,9,10)

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Names and synonyms

1 names

4,4,4-Trifluoro-3-hydroxy-3-methylbutanoic acid

Work with 3-Hydroxy-3-methyl-4,4,4-trifluorobutyric 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-Hydroxy-2H,2H-perfluoro-3-methylbutanoic acid1547-36-057 % similar 3,3,3-Trifluoropropionic acid2516-99-650 % similar 3-Hydroxy-3-methylglutaric acid503-49-150 % similar 3-Hydroxyisovaleric acid625-08-150 % similar 3,3-Dimethylbutanoic acid1070-83-348 % similar 3,3-Dimethylglutaric acid4839-46-748 % similar (R)-(-)-Citramalic acid6236-10-844 % similar 3-Ethyl-3-methylpentanedioic acid5345-01-742 % similar

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

Elsewhere

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