4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine

C17H16FNS — CID 11243121

IUPAC4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccc(Sc2ccccc2)c(C2=CCNCC2)c1
InChIInChI=1S/C17H16FNS/c18-14-6-7-17(20-15-4-2-1-3-5-15)16(12-14)13-8-10-19-11-9-13/h1-8,12,19H,9-11H2
InChIKeyPUEZOCGQEOXEFL-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.35
Rot. Bonds3

About 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine

4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 11243121) has the molecular formula C17H16FNS and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID11243121
Molecular FormulaC17H16FNS
Molecular Weight285.39 g/mol
Exact Mass285.10
IUPAC Name4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine
SMILESFc1ccc(Sc2ccccc2)c(C2=CCNCC2)c1
InChIInChI=1S/C17H16FNS/c18-14-6-7-17(20-15-4-2-1-3-5-15)16(12-14)13-8-10-19-11-9-13/h1-8,12,19H,9-11H2
InChIKeyPUEZOCGQEOXEFL-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine (CID 11243121) is 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine is Fc1ccc(Sc2ccccc2)c(C2=CCNCC2)c1.
What is the InChIKey of 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is PUEZOCGQEOXEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNS/c18-14-6-7-17(20-15-4-2-1-3-5-15)16(12-14)13-8-10-19-11-9-13/h1-8,12,19H,9-11H2.
What are the key properties of 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine?
4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 285.39 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-phenylsulfanylphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11243121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).