4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine

C18H18FNOS — CID 11186135

IUPAC4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccc(Sc2c(F)cccc2C2=CCNCC2)cc1
InChIInChI=1S/C18H18FNOS/c1-21-14-5-7-15(8-6-14)22-18-16(3-2-4-17(18)19)13-9-11-20-12-10-13/h2-9,20H,10-12H2,1H3
InChIKeyQTEHEQGCXGNKEP-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.36
Rot. Bonds4

About 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine

4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11186135) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11186135
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESCOc1ccc(Sc2c(F)cccc2C2=CCNCC2)cc1
InChIInChI=1S/C18H18FNOS/c1-21-14-5-7-15(8-6-14)22-18-16(3-2-4-17(18)19)13-9-11-20-12-10-13/h2-9,20H,10-12H2,1H3
InChIKeyQTEHEQGCXGNKEP-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (CID 11186135) is 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is COc1ccc(Sc2c(F)cccc2C2=CCNCC2)cc1.
What is the InChIKey of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is QTEHEQGCXGNKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-21-14-5-7-15(8-6-14)22-18-16(3-2-4-17(18)19)13-9-11-20-12-10-13/h2-9,20H,10-12H2,1H3.
What are the key properties of 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 315.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-2-(4-methoxyphenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11186135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).