4-(1,1-difluoroethyl)piperidine;hydrochloride

C7H14ClF2N — CID 84718975

IUPAC4-(1,1-difluoroethyl)piperidine;hydrochloride
SMILESCC(F)(F)C1CCNCC1.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-7(8,9)6-2-4-10-5-3-6;/h6,10H,2-5H2,1H3;1H
InChIKeyMBAOAXQMNRAELO-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.06
Rot. Bonds1

About 4-(1,1-difluoroethyl)piperidine;hydrochloride

4-(1,1-difluoroethyl)piperidine;hydrochloride (PubChem CID 84718975) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)piperidine;hydrochloride
PubChem CID84718975
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC Name4-(1,1-difluoroethyl)piperidine;hydrochloride
SMILESCC(F)(F)C1CCNCC1.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-7(8,9)6-2-4-10-5-3-6;/h6,10H,2-5H2,1H3;1H
InChIKeyMBAOAXQMNRAELO-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1,1-difluoroethyl)piperidine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-Methylpiperidine
CID 69381
4-Ethylpiperidine
CID 76704
4-(Trifluoromethyl)piperidine
CID 136469
3-(Trifluoromethyl)piperidine
CID 2760776
4-(Trifluoromethyl)piperidine hydrochloride
CID 16218160
4,4-Difluoropiperidine hydrochloride
CID 2758351
(S)-3-(Trifluoromethyl)piperidine
CID 7062692
3,3-Difluoropiperidine hydrochloride
CID 2758349
3,5-Bis(trifluoromethyl)piperidine
CID 10036439
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methanamine
CID 18425514
4-(Fluoromethyl)piperidine hydrochloride
CID 23110104
(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)piperidine;hydrochloride?
The IUPAC name of 4-(1,1-difluoroethyl)piperidine;hydrochloride (CID 84718975) is 4-(1,1-difluoroethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(1,1-difluoroethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(1,1-difluoroethyl)piperidine;hydrochloride is CC(F)(F)C1CCNCC1.Cl.
What is the InChIKey of 4-(1,1-difluoroethyl)piperidine;hydrochloride?
The InChIKey is MBAOAXQMNRAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-7(8,9)6-2-4-10-5-3-6;/h6,10H,2-5H2,1H3;1H.
What are the key properties of 4-(1,1-difluoroethyl)piperidine;hydrochloride?
4-(1,1-difluoroethyl)piperidine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)piperidine;hydrochloride is sourced from PubChem (CID 84718975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).