2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride

C7H14ClF2N — CID 122240376

IUPAC2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride
SMILESCC1(N)CCCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-6(10)4-2-3-5-7(6,8)9;/h2-5,10H2,1H3;1H
InChIKeyZQKLDJLTZFYKCK-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.33
Rot. Bonds

About 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride

2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride (PubChem CID 122240376) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride
PubChem CID122240376
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride
SMILESCC1(N)CCCCC1(F)F.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-6(10)4-2-3-5-7(6,8)9;/h2-5,10H2,1H3;1H
InChIKeyZQKLDJLTZFYKCK-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride (CID 122240376) is 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride is CC1(N)CCCCC1(F)F.Cl.
What is the InChIKey of 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is ZQKLDJLTZFYKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-6(10)4-2-3-5-7(6,8)9;/h2-5,10H2,1H3;1H.
What are the key properties of 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride?
2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 122240376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).