4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine

C17H16F3NS — CID 11232540

IUPAC4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine
SMILESFc1ccc(Sc2cccc(F)c2C2CCNCC2)c(F)c1
InChIInChI=1S/C17H16F3NS/c18-12-4-5-15(14(20)10-12)22-16-3-1-2-13(19)17(16)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2
InChIKeyKJDNJLONYOSUQP-UHFFFAOYSA-N
MW323.38 g/mol
LogP4.72
Rot. Bonds3

About 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine

4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine (PubChem CID 11232540) has the molecular formula C17H16F3NS and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine
PubChem CID11232540
Molecular FormulaC17H16F3NS
Molecular Weight323.38 g/mol
Exact Mass323.10
IUPAC Name4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine
SMILESFc1ccc(Sc2cccc(F)c2C2CCNCC2)c(F)c1
InChIInChI=1S/C17H16F3NS/c18-12-4-5-15(14(20)10-12)22-16-3-1-2-13(19)17(16)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2
InChIKeyKJDNJLONYOSUQP-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine (CID 11232540) is 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine is Fc1ccc(Sc2cccc(F)c2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine?
The InChIKey is KJDNJLONYOSUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NS/c18-12-4-5-15(14(20)10-12)22-16-3-1-2-13(19)17(16)11-6-8-21-9-7-11/h1-5,10-11,21H,6-9H2.
What are the key properties of 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine?
4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine has a molecular weight of 323.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)sulfanyl-6-fluorophenyl]piperidine is sourced from PubChem (CID 11232540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).