2-(difluoromethyl)piperidine;hydrochloride

C6H12ClF2N — CID 84717433

IUPAC2-(difluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)C1CCCCN1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-3-1-2-4-9-5;/h5-6,9H,1-4H2;1H
InChIKeyVASVMNJMDPXFFJ-UHFFFAOYSA-N
MW171.62 g/mol
LogP1.82
Rot. Bonds1

About 2-(difluoromethyl)piperidine;hydrochloride

2-(difluoromethyl)piperidine;hydrochloride (PubChem CID 84717433) has the molecular formula C6H12ClF2N and a molecular weight of 171.62 g/mol. Its IUPAC name is 2-(difluoromethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethyl)piperidine;hydrochloride
PubChem CID84717433
Molecular FormulaC6H12ClF2N
Molecular Weight171.62 g/mol
Exact Mass171.06
IUPAC Name2-(difluoromethyl)piperidine;hydrochloride
SMILESCl.FC(F)C1CCCCN1
InChIInChI=1S/C6H11F2N.ClH/c7-6(8)5-3-1-2-4-9-5;/h5-6,9H,1-4H2;1H
InChIKeyVASVMNJMDPXFFJ-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

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Related Compounds

4,4-Difluoropiperidine
CID 2758352
2-(Trifluoromethyl)piperidine
CID 11263608
3,3-Difluoropiperidine
CID 2758350
2-Methylpiperidine hydrochloride
CID 12231239
4,4-Difluoropiperidine hydrochloride
CID 2758351
rac-(3R,5S)-3,5-difluoropiperidine hydrochloride
CID 135800020
3,3-Difluoropiperidine hydrochloride
CID 2758349
3,5-Difluoropiperidine hydrochloride
CID 135800019
3-Fluoropiperidine HCl
CID 2759156
4-Fluoropiperidine hydrochloride
CID 2759158
(2S)-2-(Trifluoromethyl)piperidine
CID 42580051
(2R)-2-(Trifluoromethyl)piperidine
CID 42580053

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)piperidine;hydrochloride?
The IUPAC name of 2-(difluoromethyl)piperidine;hydrochloride (CID 84717433) is 2-(difluoromethyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(difluoromethyl)piperidine;hydrochloride?
The canonical SMILES for 2-(difluoromethyl)piperidine;hydrochloride is Cl.FC(F)C1CCCCN1.
What is the InChIKey of 2-(difluoromethyl)piperidine;hydrochloride?
The InChIKey is VASVMNJMDPXFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.ClH/c7-6(8)5-3-1-2-4-9-5;/h5-6,9H,1-4H2;1H.
What are the key properties of 2-(difluoromethyl)piperidine;hydrochloride?
2-(difluoromethyl)piperidine;hydrochloride has a molecular weight of 171.62 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)piperidine;hydrochloride is sourced from PubChem (CID 84717433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).