4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine

C17H16ClF2NS — CID 11163593

IUPAC4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine
SMILESFc1ccc(Sc2cc(F)ccc2C2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H16ClF2NS/c18-15-9-12(19)2-4-16(15)22-17-10-13(20)1-3-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
InChIKeyPCCLAWKRYPGMDD-UHFFFAOYSA-N
MW339.84 g/mol
LogP5.24
Rot. Bonds3

About 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine

4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine (PubChem CID 11163593) has the molecular formula C17H16ClF2NS and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine.

Molecular Properties

Compound Name4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine
PubChem CID11163593
Molecular FormulaC17H16ClF2NS
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine
SMILESFc1ccc(Sc2cc(F)ccc2C2CCNCC2)c(Cl)c1
InChIInChI=1S/C17H16ClF2NS/c18-15-9-12(19)2-4-16(15)22-17-10-13(20)1-3-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
InChIKeyPCCLAWKRYPGMDD-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.84
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine?
The IUPAC name of 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine (CID 11163593) is 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine.
What is the SMILES notation for 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine?
The canonical SMILES for 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine is Fc1ccc(Sc2cc(F)ccc2C2CCNCC2)c(Cl)c1.
What is the InChIKey of 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine?
The InChIKey is PCCLAWKRYPGMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NS/c18-15-9-12(19)2-4-16(15)22-17-10-13(20)1-3-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2.
What are the key properties of 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine?
4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine has a molecular weight of 339.84 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-fluorophenyl)sulfanyl-4-fluorophenyl]piperidine is sourced from PubChem (CID 11163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).