(2S)-1,1,1-Trifluoropropan-2-ol

C₃H₅F₃OCAS 3539-97-7114.07 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₅F₃O
Molar mass: 114.07 g/mol
Exact mass: 114.0292 Da
logP: 0.93Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

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

3539-97-7

SMILES

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

InChIKey

GILIYJDBJZWGBG-REOHCLBHSA-N

InChI

InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3/t2-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-1,1,1-Trifluoro-2-propanol

Work with (2S)-1,1,1-Trifluoropropan-2-ol

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.

1,1,1-Trifluoro-2-propanol374-01-6Stereo not defined

Similar compounds

3,3,4,4,4-Pentafluoro-2-butanol374-40-352 % similar 1-(2H-Perfluoropropyl)ethanol2711-81-152 % similar Pinacolyl alcohol464-07-347 % similar 1,1,1,3,3,3-Hexafluoro-2-propanol29463-77-244 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-444 % similar Hexafluoro-2-propanol920-66-144 % similar Trifluoroacetaldehyde methyl hemiacetal431-46-939 % similar 1,1,1-Trifluoro-2-propanamine421-49-838 % similar

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

Same formula

3,3,3-Trifluoro-1-propanol2240-88-2 2,2,2-Trifluoroethyl methyl ether460-43-5 Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-1

Elsewhere

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