5,5-difluoro-2-methylpiperidine;hydrochloride

C6H12ClF2N — CID 105435005

IUPAC5,5-difluoro-2-methylpiperidine;hydrochloride
SMILESCC1CCC(F)(F)CN1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-5-2-3-6(7,8)4-9-5;/h5,9H,2-4H2,1H3;1H
InChIKeyLUUKLHBQIJVQEV-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.82
Rot. Bonds

About 5,5-difluoro-2-methylpiperidine;hydrochloride

5,5-difluoro-2-methylpiperidine;hydrochloride (PubChem CID 105435005) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 5,5-difluoro-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name5,5-difluoro-2-methylpiperidine;hydrochloride
PubChem CID105435005
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name5,5-difluoro-2-methylpiperidine;hydrochloride
SMILESCC1CCC(F)(F)CN1.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-5-2-3-6(7,8)4-9-5;/h5,9H,2-4H2,1H3;1H
InChIKeyLUUKLHBQIJVQEV-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-difluoro-2-methylpiperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methylpiperidine;hydrochloride?
The IUPAC name of 5,5-difluoro-2-methylpiperidine;hydrochloride (CID 105435005) is 5,5-difluoro-2-methylpiperidine;hydrochloride.
What is the SMILES notation for 5,5-difluoro-2-methylpiperidine;hydrochloride?
The canonical SMILES for 5,5-difluoro-2-methylpiperidine;hydrochloride is CC1CCC(F)(F)CN1.Cl.
What is the InChIKey of 5,5-difluoro-2-methylpiperidine;hydrochloride?
The InChIKey is LUUKLHBQIJVQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-5-2-3-6(7,8)4-9-5;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 5,5-difluoro-2-methylpiperidine;hydrochloride?
5,5-difluoro-2-methylpiperidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 105435005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).