(4,4-Difluorocyclohexyl)amine hydrochloride

C₆H₁₂ClF₂NCAS 675112-70-6171.62 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₆H₁₂ClF₂N
Molar mass: 171.62 g/mol
Exact mass: 171.0626 Da
logP: 1.94Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed28.6% of notifiers
H314 Causes severe skin burns and eye damage14.3% of notifiers
H315 Causes skin irritation57.1% of notifiers
H319 Causes serious eye irritation57.1% of notifiers
H335 May cause respiratory irritation57.1% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

675112-70-6

SMILES

Cl.NC1CCC(F)(F)CC1

InChIKey

QYJPFTAKVBDDPD-UHFFFAOYSA-N

InChI

InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-5(9)2-4-6;/h5H,1-4,9H2;1H

Weigh it out

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

Names and synonyms

5 names

Cyclohexanamine, 4,4-difluoro-, hydrochloride (1:1)
Cyclohexanamine, 4,4-difluoro-, hydrochloride
(4,4-Difluorocyclohexyl)ammonium chloride
4,4-Difluorocyclohexanamine hydrochloride
4,4-Difluorocyclohexanaminium chloride

Work with (4,4-Difluorocyclohexyl)amine hydrochloride

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.

4,4-Difluorocyclohexanamine458566-84-2Free base

Similar compounds

3,3-Difluorocyclobutanamine hydrochloride637031-93-758 % similar Cyclobutylammonium chloride6291-01-648 % similar Cyclohexylamine hydrochloride4998-76-946 % similar 4,4-Difluoropiperidine hydrochloride144230-52-442 % similar 4,4-Difluorocyclohexanol22419-35-842 % similar Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-142 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar trans-4-Methylcyclohexylamine hydrochloride33483-65-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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