4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine

C18H19F2NOS — CID 11325144

IUPAC4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2cccc(F)c2C2CCNCC2)c(F)c1
InChIInChI=1S/C18H19F2NOS/c1-22-13-5-6-16(15(20)11-13)23-17-4-2-3-14(19)18(17)12-7-9-21-10-8-12/h2-6,11-12,21H,7-10H2,1H3
InChIKeyRXMSQRQTVKNBQC-UHFFFAOYSA-N
MW335.42 g/mol
LogP4.59
Rot. Bonds4

About 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine

4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine (PubChem CID 11325144) has the molecular formula C18H19F2NOS and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine
PubChem CID11325144
Molecular FormulaC18H19F2NOS
Molecular Weight335.42 g/mol
Exact Mass335.12
IUPAC Name4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine
SMILESCOc1ccc(Sc2cccc(F)c2C2CCNCC2)c(F)c1
InChIInChI=1S/C18H19F2NOS/c1-22-13-5-6-16(15(20)11-13)23-17-4-2-3-14(19)18(17)12-7-9-21-10-8-12/h2-6,11-12,21H,7-10H2,1H3
InChIKeyRXMSQRQTVKNBQC-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine?
The IUPAC name of 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine (CID 11325144) is 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine.
What is the SMILES notation for 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine?
The canonical SMILES for 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine is COc1ccc(Sc2cccc(F)c2C2CCNCC2)c(F)c1.
What is the InChIKey of 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine?
The InChIKey is RXMSQRQTVKNBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NOS/c1-22-13-5-6-16(15(20)11-13)23-17-4-2-3-14(19)18(17)12-7-9-21-10-8-12/h2-6,11-12,21H,7-10H2,1H3.
What are the key properties of 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine?
4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine has a molecular weight of 335.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(2-fluoro-4-methoxyphenyl)sulfanylphenyl]piperidine is sourced from PubChem (CID 11325144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).