3,3,3-Trifluorolactic acid

C₃H₃F₃O₃CAS 684-07-1144.05 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Carboxylic acid

Properties

Molecular formula: C₃H₃F₃O₃
Molar mass: 144.05 g/mol
Exact mass: 144.0034 Da
logP: -0.01Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

684-07-1

SMILES

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

InChIKey

BVKGUTLIPHZYCX-UHFFFAOYSA-N

InChI

InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)

Weigh it out

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Names and synonyms

1 names

3,3,3-Trifluoro-2-hydroxypropanoic acid

Work with 3,3,3-Trifluorolactic 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)564-10-358 % similar 3,3,3-Trifluoroalanine17463-43-352 % similar 4,4,4,4′,4′,4′-Hexafluorovaline16063-80-248 % similar 3-Hydroxy-2-(trifluoromethyl)propenoic acid382-43-448 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid133261-33-347 % similar 4-(Trifluoromethyl)cyclohexanecarboxylic acid95233-30-047 % similar DL-Tartaric acid133-37-942 % similar D-Tartaric acid147-71-742 % similar

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

Elsewhere

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