2,2-difluorocyclohexan-1-amine;hydrochloride

C6H12ClF2N — CID 66791418

IUPAC2,2-difluorocyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCCCC1(F)F
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H
InChIKeyINIHWKPDAPMHQD-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.94
Rot. Bonds

About 2,2-difluorocyclohexan-1-amine;hydrochloride

2,2-difluorocyclohexan-1-amine;hydrochloride (PubChem CID 66791418) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 2,2-difluorocyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluorocyclohexan-1-amine;hydrochloride
PubChem CID66791418
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name2,2-difluorocyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCCCC1(F)F
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H
InChIKeyINIHWKPDAPMHQD-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.62
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexylamine hydrochloride
CID 2723770
Cyclohexylazanium;chloride
CID 21097
4-Fluorocyclohexan-1-amine hydrochloride
CID 54772395
(4,4-Difluorocyclohexyl)amine
CID 3847030
4,4-Difluorocyclohexan-1-amine hydrochloride
CID 23150669
3,3-Difluorocyclohexan-1-amine hydrochloride
CID 71711147
3-Fluorocyclohexan-1-amine hydrochloride
CID 84716542
(1S)-2,2-difluorocyclohexan-1-amine hydrochloride
CID 92131084
(1S,2R)-2-fluorocyclohexan-1-amine hydrochloride
CID 117587785
4,4-difluoro-N-methylcyclohexan-1-amine hydrochloride
CID 119031428
(1R,2S)-2-fluorocyclohexan-1-amine hydrochloride
CID 126818648
(1S)-3,3-difluorocyclohexan-1-amine hydrochloride
CID 132352641

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclohexan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluorocyclohexan-1-amine;hydrochloride (CID 66791418) is 2,2-difluorocyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluorocyclohexan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluorocyclohexan-1-amine;hydrochloride is Cl.NC1CCCCC1(F)F.
What is the InChIKey of 2,2-difluorocyclohexan-1-amine;hydrochloride?
The InChIKey is INIHWKPDAPMHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H.
What are the key properties of 2,2-difluorocyclohexan-1-amine;hydrochloride?
2,2-difluorocyclohexan-1-amine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 66791418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).