3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
Properties
- Molecular formula
- C4H5F3O3
- Molar mass
- 158.08 g/mol
- Exact mass
- 158.0191 Da
- Melting point
- 88 °C
- Boiling point
- 189 °C
- logP
- 0.38Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
114715-77-4SMILES
CC(O)(C(=O)O)C(F)(F)FInChIKey
CTGJACFEVDCYMC-UHFFFAOYSA-NInChI
InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-
- 3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid
- 2-Hydroxy-2-(trifluoromethyl)propanoic acid
- 2-Trifluoromethyl-2-hydroxypropionic acid
- α-Methyl-3,3,3-trifluorolactic acid
- 2-Hydroxy-2-(trifluoromethyl)propionic acid
- α-(Trifluoromethyl)lactic acid
- 2-(Trifluoromethyl)-2-hydroxypropanoic acid
- 2-Hydroxy-2-methyl-3,3,3-trifluoropropanoic acid
Work with 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-056 % similar
Perfluoropropionic acid422-64-054 % similar
2,2-Difluoropropanoic acid373-96-648 % similar
1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-445 % similar
2-Hydroxyisobutyric acid594-61-644 % similar
Perfluorobutanoic acid375-22-443 % similar
2,2,3,3-Tetrafluorobutanedioic acid377-38-842 % similar
Dimethylmalonic acid595-46-042 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds