1-(2,2-difluoroethyl)-4-ethenylpiperidine

C9H15F2N — CID 131129043

IUPAC1-(2,2-difluoroethyl)-4-ethenylpiperidine
SMILESC=CC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H15F2N/c1-2-8-3-5-12(6-4-8)7-9(10)11/h2,8-9H,1,3-7H2
InChIKeyQPEZSDRBIXXJLP-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.15
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-ethenylpiperidine

1-(2,2-difluoroethyl)-4-ethenylpiperidine (PubChem CID 131129043) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-ethenylpiperidine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-ethenylpiperidine
PubChem CID131129043
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name1-(2,2-difluoroethyl)-4-ethenylpiperidine
SMILESC=CC1CCN(CC(F)F)CC1
InChIInChI=1S/C9H15F2N/c1-2-8-3-5-12(6-4-8)7-9(10)11/h2,8-9H,1,3-7H2
InChIKeyQPEZSDRBIXXJLP-UHFFFAOYSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,2-difluoroethyl)-4-ethenylpiperidine 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 1-(2,2-difluoroethyl)-4-ethenylpiperidine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-ethenylpiperidine (CID 131129043) is 1-(2,2-difluoroethyl)-4-ethenylpiperidine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-ethenylpiperidine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-ethenylpiperidine is C=CC1CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-ethenylpiperidine?
The InChIKey is QPEZSDRBIXXJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-8-3-5-12(6-4-8)7-9(10)11/h2,8-9H,1,3-7H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-ethenylpiperidine?
1-(2,2-difluoroethyl)-4-ethenylpiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-ethenylpiperidine is sourced from PubChem (CID 131129043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).