4,4-Difluorocyclohexanol

C₆H₁₀F₂OCAS 22419-35-8136.14 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₆H₁₀F₂O
Molar mass: 136.14 g/mol
Exact mass: 136.0700 Da
logP: 1.56Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

22419-35-8

SMILES

C1CC(CCC1O)(F)F

InChIKey

XTJZBCBHCPQASK-UHFFFAOYSA-N

InChI

InChI=1S/C6H10F2O/c7-6(8)3-1-5(9)2-4-6/h5,9H,1-4H2

Weigh it out

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Names and synonyms

1 names

4,4-Difluorocyclohexan-1-ol

Work with 4,4-Difluorocyclohexanol

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-Difluorocyclobutanol637031-88-052 % similar (4,4-Difluorocyclohexyl)methanol178312-48-650 % similar 4,4-Difluorocyclohexanamine458566-84-248 % similar 4,4-Dimethylcyclohexan-1-ol932-01-448 % similar 4-(Trifluoromethyl)cyclohexan-1-ol30129-18-146 % similar Cyclopropanol16545-68-944 % similar 1,4-Cyclohexanediol556-48-944 % similar trans-1,4-Cyclohexanediol6995-79-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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