3-Hydroxy-2-(trifluoromethyl)propenoic acid

C₄H₅F₃O₃CAS 382-43-4158.08 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Carboxylic acid

Properties

Molecular formula: C₄H₅F₃O₃
Molar mass: 158.08 g/mol
Exact mass: 158.0191 Da
logP: 0.24Crippen 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

382-43-4

SMILES

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

InChIKey

PKKMMANRRSONBS-UHFFFAOYSA-N

InChI

InChI=1S/C4H5F3O3/c5-4(6,7)2(1-8)3(9)10/h2,8H,1H2,(H,9,10)

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

Names and synonyms

1 names

3-Hydroxy-2-trifluoromethylpropionic acid

Work with 3-Hydroxy-2-(trifluoromethyl)propenoic 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

2H-Hexafluoro(2-methylpropanoic acid)564-10-352 % similar 2,2-Difluorocyclopropane-1-carboxylic acid107873-03-052 % similar 3,3,3-Trifluorolactic acid684-07-148 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-347 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-047 % similar 3,3,3-Trifluoroalanine17463-43-347 % similar 4,4,4,4′,4′,4′-Hexafluorovaline16063-80-244 % similar DL-Serine302-84-143 % similar

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

Same formula

3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-4 (2S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid24435-45-8 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid374-35-6 (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid44864-47-3

Elsewhere

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