chempirical

3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic Acid

C4H2F6O3CAS 662-22-6212.05 g/mol

Open in Covalent MOL file
OFFFFFFOHOH
AlcoholAlkyl halideCarboxylic acid

Properties

Molecular formula
C4H2F6O3
Molar mass
212.05 g/mol
Exact mass
211.9908 Da
logP
0.93Crippen estimate
Polar surface area
57.5 Ų
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
662-22-6
SMILES
C(=O)(C(C(F)(F)F)(C(F)(F)F)O)O
InChIKey
CMQUGOHGJUTDGZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)

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Names and synonyms

1 names
  • 2,2-Bis(trifluoromethyl)-2-hydroxyacetic acid

Work with 3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic 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

Perfluoropropionic acid422-64-054 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-452 % similar (2S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid24435-45-852 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid374-35-652 % similar (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid44864-47-352 % similar 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-450 % similar 2,2-Bis(trifluoromethyl)propionic acid45048-36-050 % similar 3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-050 % similar

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

Elsewhere

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