(4,4-Difluorocyclohexyl)methanol

C₇H₁₂F₂OCAS 178312-48-6150.17 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₇H₁₂F₂O
Molar mass: 150.17 g/mol
Exact mass: 150.0856 Da
logP: 1.80Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

178312-48-6

SMILES

C1CC(CCC1CO)(F)F

InChIKey

XJZNZSLOHZLFQP-UHFFFAOYSA-N

InChI

InChI=1S/C7H12F2O/c8-7(9)3-1-6(5-10)2-4-7/h6,10H,1-5H2

Weigh it out

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

Names and synonyms

1 names

Cyclohexanemethanol, 4,4-difluoro- (9ci)

Work with (4,4-Difluorocyclohexyl)methanol

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

(3,3-Difluorocyclobutyl)methanol681128-39-257 % similar 4-Bromomethyl-1,1-difluoro-cyclohexane858121-94-552 % similar Cyclohexanedimethanol105-08-850 % similar 4,4-Difluorocyclohexanol22419-35-850 % similar Cyclopropanemethanol2516-33-850 % similar trans-1,4-Cyclohexanedimethanol3236-48-450 % similar Cyclopentanemethanol3637-61-445 % similar Cyclobutanemethanol4415-82-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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