4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine

C17H17F2NS — CID 11162536

IUPAC4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine
SMILESFc1ccc(Sc2ccccc2F)c(C2CCNCC2)c1
InChIInChI=1S/C17H17F2NS/c18-13-5-6-16(21-17-4-2-1-3-15(17)19)14(11-13)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
InChIKeyJGMCWUNQKZOQOG-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.58
Rot. Bonds3

About 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine

4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine (PubChem CID 11162536) has the molecular formula C17H17F2NS and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine
PubChem CID11162536
Molecular FormulaC17H17F2NS
Molecular Weight305.39 g/mol
Exact Mass305.10
IUPAC Name4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine
SMILESFc1ccc(Sc2ccccc2F)c(C2CCNCC2)c1
InChIInChI=1S/C17H17F2NS/c18-13-5-6-16(21-17-4-2-1-3-15(17)19)14(11-13)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
InChIKeyJGMCWUNQKZOQOG-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]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 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine (CID 11162536) is 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine is Fc1ccc(Sc2ccccc2F)c(C2CCNCC2)c1.
What is the InChIKey of 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine?
The InChIKey is JGMCWUNQKZOQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NS/c18-13-5-6-16(21-17-4-2-1-3-15(17)19)14(11-13)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2.
What are the key properties of 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine?
4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine has a molecular weight of 305.39 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11162536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).