3-(2,2-difluorocyclopropyl)piperidine;hydrochloride

C8H14ClF2N — CID 126845666

IUPAC3-(2,2-difluorocyclopropyl)piperidine;hydrochloride
SMILESCl.FC1(F)CC1C1CCCNC1
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)4-7(8)6-2-1-3-11-5-6;/h6-7,11H,1-5H2;1H
InChIKeyYEYHVFUXYIMOCZ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.06
Rot. Bonds1

About 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride

3-(2,2-difluorocyclopropyl)piperidine;hydrochloride (PubChem CID 126845666) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)piperidine;hydrochloride
PubChem CID126845666
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name3-(2,2-difluorocyclopropyl)piperidine;hydrochloride
SMILESCl.FC1(F)CC1C1CCCNC1
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)4-7(8)6-2-1-3-11-5-6;/h6-7,11H,1-5H2;1H
InChIKeyYEYHVFUXYIMOCZ-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,2-difluorocyclopropyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride?
The IUPAC name of 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride (CID 126845666) is 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride is Cl.FC1(F)CC1C1CCCNC1.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride?
The InChIKey is YEYHVFUXYIMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c9-8(10)4-7(8)6-2-1-3-11-5-6;/h6-7,11H,1-5H2;1H.
What are the key properties of 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride?
3-(2,2-difluorocyclopropyl)piperidine;hydrochloride has a molecular weight of 197.66 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 3-(2,2-difluorocyclopropyl)piperidine;hydrochloride is sourced from PubChem (CID 126845666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).