4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine

C17H15F2NS — CID 11278091

IUPAC4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1ccc(Sc2ccc(F)cc2C2=CCNCC2)cc1
InChIInChI=1S/C17H15F2NS/c18-13-1-4-15(5-2-13)21-17-6-3-14(19)11-16(17)12-7-9-20-10-8-12/h1-7,11,20H,8-10H2
InChIKeyHHPCOCQIUAMSCF-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.49
Rot. Bonds3

About 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine

4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11278091) has the molecular formula C17H15F2NS and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11278091
Molecular FormulaC17H15F2NS
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1ccc(Sc2ccc(F)cc2C2=CCNCC2)cc1
InChIInChI=1S/C17H15F2NS/c18-13-1-4-15(5-2-13)21-17-6-3-14(19)11-16(17)12-7-9-20-10-8-12/h1-7,11,20H,8-10H2
InChIKeyHHPCOCQIUAMSCF-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 54.49
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-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (CID 11278091) is 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is Fc1ccc(Sc2ccc(F)cc2C2=CCNCC2)cc1.
What is the InChIKey of 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is HHPCOCQIUAMSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NS/c18-13-1-4-15(5-2-13)21-17-6-3-14(19)11-16(17)12-7-9-20-10-8-12/h1-7,11,20H,8-10H2.
What are the key properties of 4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 303.38 g/mol, XLogP of 4.49, 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-(4-fluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11278091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).