1,1,1,3,3,3-Hexafluoro-2-propanol

C₃H₂F₆OCAS 29463-77-2168.04 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₃H₂F₆O
Molar mass: 168.04 g/mol
Exact mass: 168.0010 Da
logP: 1.47Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

29463-77-2

SMILES

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

InChIKey

BYEAHWXPCBROCE-UHFFFAOYSA-N

InChI

InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H

Weigh it out

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

Work with 1,1,1,3,3,3-Hexafluoro-2-propanol

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.

2-Propan-2-d-ol-d, 1,1,1,3,3,3-hexafluoro-38701-74-5Labelled Hexafluoro-2-propanol920-66-1

Similar compounds

2,2,2-Trifluoro-1,1-ethanediol421-53-450 % similar (2S)-1,1,1-Trifluoropropan-2-ol3539-97-744 % similar 1,1,1-Trifluoro-2-propanol374-01-644 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-136 % similar 3-Amino-1,1,1-trifluoropropan-2-ol431-38-936 % similar Trifluoroacetaldehyde methyl hemiacetal431-46-936 % similar 3-Bromo-1,1,1-trifluoro-2-propanol88378-50-136 % similar Pentafluoroethane354-33-635 % similar

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

Same formula

Desflurane57041-67-5

Elsewhere

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