4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine

C18H19F2NS — CID 11381601

IUPAC4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
SMILESCc1ccc(Sc2cc(F)ccc2C2CCNCC2)c(F)c1
InChIInChI=1S/C18H19F2NS/c1-12-2-5-17(16(20)10-12)22-18-11-14(19)3-4-15(18)13-6-8-21-9-7-13/h2-5,10-11,13,21H,6-9H2,1H3
InChIKeyMZNDFZYCPTWCRS-UHFFFAOYSA-N
MW319.42 g/mol
LogP4.89
Rot. Bonds3

About 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine

4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine (PubChem CID 11381601) has the molecular formula C18H19F2NS and a molecular weight of 319.42 g/mol. Its IUPAC name is 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
PubChem CID11381601
Molecular FormulaC18H19F2NS
Molecular Weight319.42 g/mol
Exact Mass319.12
IUPAC Name4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine
SMILESCc1ccc(Sc2cc(F)ccc2C2CCNCC2)c(F)c1
InChIInChI=1S/C18H19F2NS/c1-12-2-5-17(16(20)10-12)22-18-11-14(19)3-4-15(18)13-6-8-21-9-7-13/h2-5,10-11,13,21H,6-9H2,1H3
InChIKeyMZNDFZYCPTWCRS-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine (CID 11381601) is 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine is Cc1ccc(Sc2cc(F)ccc2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine?
The InChIKey is MZNDFZYCPTWCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NS/c1-12-2-5-17(16(20)10-12)22-18-11-14(19)3-4-15(18)13-6-8-21-9-7-13/h2-5,10-11,13,21H,6-9H2,1H3.
What are the key properties of 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine?
4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine has a molecular weight of 319.42 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(2-fluoro-4-methylphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11381601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).