3,3-difluorocyclohexan-1-amine;hydrochloride

C6H12ClF2N — CID 71711147

IUPAC3,3-difluorocyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)3-1-2-5(9)4-6;/h5H,1-4,9H2;1H
InChIKeyCYAZLMHIPJPQQF-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.94
Rot. Bonds

About 3,3-difluorocyclohexan-1-amine;hydrochloride

3,3-difluorocyclohexan-1-amine;hydrochloride (PubChem CID 71711147) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 3,3-difluorocyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluorocyclohexan-1-amine;hydrochloride
PubChem CID71711147
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name3,3-difluorocyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCCC(F)(F)C1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)3-1-2-5(9)4-6;/h5H,1-4,9H2;1H
InChIKeyCYAZLMHIPJPQQF-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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorocyclohexan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluorocyclohexan-1-amine;hydrochloride (CID 71711147) is 3,3-difluorocyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluorocyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluorocyclohexan-1-amine;hydrochloride is Cl.NC1CCCC(F)(F)C1.
What is the InChIKey of 3,3-difluorocyclohexan-1-amine;hydrochloride?
The InChIKey is CYAZLMHIPJPQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)3-1-2-5(9)4-6;/h5H,1-4,9H2;1H.
What are the key properties of 3,3-difluorocyclohexan-1-amine;hydrochloride?
3,3-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 3,3-difluorocyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 71711147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).