(R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic acid

C₄H₅F₃O₃CAS 44864-47-3158.08 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: 0.38Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H290 May be corrosive to metals20% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, P501

Identifiers

CAS number

44864-47-3

SMILES

C[C@@](C(=O)O)(C(F)(F)F)O

InChIKey

CTGJACFEVDCYMC-GSVOUGTGSA-N

InChI

InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m1/s1

Weigh it out

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

Names and synonyms

1 names

(2R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

Work with (R)-3,3,3-Trifluoro-2-hydroxy-2-methylpropionic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid24435-45-8Enantiomer 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid374-35-6Stereo not defined 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-4Stereo not defined

Similar compounds

2,2-Bis(trifluoromethyl)propionic acid45048-36-056 % similar 3,3,3-Trifluoro-2,2-dimethylpropanoic acid889940-13-056 % similar Perfluoropropionic acid422-64-054 % similar 3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic Acid662-22-652 % similar 2,2-Difluoropropanoic acid373-96-648 % similar 2-Fluoroisobutyric acid63812-15-748 % similar 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-445 % similar 2-Hydroxyisobutyric acid594-61-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hydroxy-2-(trifluoromethyl)propenoic acid382-43-4

Elsewhere

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