CAS 675112-70-6|4,4-difluorocyclohexan-1-amine hydrochloride|4,4-Difluorocyclohexan-1-amine hydrochloride|4,4-difluorocyclohexan-1-amine hydrochloride|1-Amino-4,4-difluorocyclohexane hydrochloride|4...

General Information

Structure

Molecular Formula

C₆H₁₂ClF₂N

Molecular Mass

171.6159864

Exact Mass

171.06263351

Charge

InChI

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

InChIKey

QYJPFTAKVBDDPD-UHFFFAOYSA-N

Canonic Smiles

NC1CCC(CC1)(F)F.Cl

Isomeric Smiles

NC1CCC(CC1)(F)F.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.3671286

LogD (pH = 7.4)

-2.07616

Log P

0.66066784

Molar Refractivity

31.5288

Polarizability

12.086794

Polar Surface Area

26.02

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4,4-difluorocyclohexan-1-amine hydrochloride

Synonyms

4,4-Difluorocyclohexan-1-amine hydrochloride1-Amino-4,4-difluorocyclohexane hydrochloride4,4-Difluorocyclohexylamine hydrochloride(4,4-Difluorocyclohexyl)amine Hydrochloride4,4-Difluorocyclohexanamine Hydrochloride(4,4-Difluorocyclohexyl)ammonium Chloride4,4-Difluorocyclohexylamine hydrochloride4,4-二氟环己胺盐酸盐

IUPAC name

4,4-difluorocyclohexan-1-amine hydrochloride

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID