(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

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

Similar compounds

Cyclobutylammonium chloride6291-01-648 % similar Cyclohexylammonium chloride4998-76-946 % similar 4,4-Difluoropiperidine hydrochloride144230-52-442 % similar Tetrahydro-2H-pyran-4-amine hydrochloride33024-60-142 % similar 4-Aminopiperidine dihydrochloride35621-01-342 % similar trans-4-Methylcyclohexylamine hydrochloride33483-65-741 % similar trans-4-Aminocyclohexanol hydrochloride50910-54-841 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-641 % similar

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

Elsewhere

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