4-(Trifluoromethyl)cyclohexan-1-ol

C₇H₁₁F₃OCAS 30129-18-1168.16 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₇H₁₁F₃O
Molar mass: 168.16 g/mol
Exact mass: 168.0762 Da
logP: 2.10Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

30129-18-1

SMILES

C1CC(CCC1C(F)(F)F)O

InChIKey

VJUJYNJEPPWWHS-UHFFFAOYSA-N

InChI

InChI=1S/C7H11F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h5-6,11H,1-4H2

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

Names and synonyms

1 names

4-(Trifluoromethyl)cyclohexanol

Work with 4-(Trifluoromethyl)cyclohexan-1-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

Similar compounds

Cyclopropanol16545-68-950 % similar 1,4-Cyclohexanediol556-48-950 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-650 % similar trans-1,4-Cyclohexanediol6995-79-550 % similar Hydrogenated bisphenol A80-04-650 % similar 4-tert-Butylcyclohexanol98-52-250 % similar 4,4-Difluorocyclohexanol22419-35-846 % similar 4-(Trifluoromethyl)piperidine657-36-346 % similar

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

Elsewhere

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