4,4-difluoro-3-methylpiperidine;hydrochloride

C6H12ClF2N — CID 71656139

IUPAC4,4-difluoro-3-methylpiperidine;hydrochloride
SMILESCC1CNCCC1(F)F.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-5-4-9-3-2-6(5,7)8;/h5,9H,2-4H2,1H3;1H
InChIKeyVGDVJYCYTKIOJM-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.67
Rot. Bonds

About 4,4-difluoro-3-methylpiperidine;hydrochloride

4,4-difluoro-3-methylpiperidine;hydrochloride (PubChem CID 71656139) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 4,4-difluoro-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3-methylpiperidine;hydrochloride
PubChem CID71656139
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name4,4-difluoro-3-methylpiperidine;hydrochloride
SMILESCC1CNCCC1(F)F.Cl
InChIInChI=1S/C6H11F2N.ClH/c1-5-4-9-3-2-6(5,7)8;/h5,9H,2-4H2,1H3;1H
InChIKeyVGDVJYCYTKIOJM-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylpiperidine
CID 79081
3,5-Dimethylpiperidine
CID 118259
4-(Trifluoromethyl)piperidine
CID 136469
3-(Trifluoromethyl)piperidine
CID 2760776
(S)-3-Methylpiperidine
CID 641100
(R)-3-Methylpiperidine
CID 6427444
4,4-Difluoropiperidine hydrochloride
CID 2758351
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3,3-Difluoropiperidine hydrochloride
CID 2758349
rel-(3R,5S)-3,5-Dimethylpiperidine
CID 641101
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylpiperidine;hydrochloride?
The IUPAC name of 4,4-difluoro-3-methylpiperidine;hydrochloride (CID 71656139) is 4,4-difluoro-3-methylpiperidine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3-methylpiperidine;hydrochloride?
The canonical SMILES for 4,4-difluoro-3-methylpiperidine;hydrochloride is CC1CNCCC1(F)F.Cl.
What is the InChIKey of 4,4-difluoro-3-methylpiperidine;hydrochloride?
The InChIKey is VGDVJYCYTKIOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c1-5-4-9-3-2-6(5,7)8;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 4,4-difluoro-3-methylpiperidine;hydrochloride?
4,4-difluoro-3-methylpiperidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 71656139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).