3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine

C7H8F5N — CID 131971137

IUPAC3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine
SMILESFC(F)=C(F)N1CC(F)CC(F)C1
InChIInChI=1S/C7H8F5N/c8-4-1-5(9)3-13(2-4)7(12)6(10)11/h4-5H,1-3H2
InChIKeyKJGWLWUOXNOLJI-UHFFFAOYSA-N
MW201.14 g/mol
LogP2.40
Rot. Bonds1

About 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine

3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine (PubChem CID 131971137) has the molecular formula C7H8F5N and a molecular weight of 201.14 g/mol. Its IUPAC name is 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine.

Molecular Properties

Compound Name3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine
PubChem CID131971137
Molecular FormulaC7H8F5N
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine
SMILESFC(F)=C(F)N1CC(F)CC(F)C1
InChIInChI=1S/C7H8F5N/c8-4-1-5(9)3-13(2-4)7(12)6(10)11/h4-5H,1-3H2
InChIKeyKJGWLWUOXNOLJI-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine 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 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine?
The IUPAC name of 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine (CID 131971137) is 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine.
What is the SMILES notation for 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine?
The canonical SMILES for 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine is FC(F)=C(F)N1CC(F)CC(F)C1.
What is the InChIKey of 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine?
The InChIKey is KJGWLWUOXNOLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N/c8-4-1-5(9)3-13(2-4)7(12)6(10)11/h4-5H,1-3H2.
What are the key properties of 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine?
3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine has a molecular weight of 201.14 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-(1,2,2-trifluoroethenyl)piperidine is sourced from PubChem (CID 131971137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).