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

C17H15F2NS — CID 11335687

IUPAC4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1cccc(Sc2ccccc2C2=CCNCC2)c1F
InChIInChI=1S/C17H15F2NS/c18-14-5-3-7-16(17(14)19)21-15-6-2-1-4-13(15)12-8-10-20-11-9-12/h1-8,20H,9-11H2
InChIKeyOTHVMQWRPPPVGO-UHFFFAOYSA-N
MW303.38 g/mol
LogP4.49
Rot. Bonds3

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

4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (PubChem CID 11335687) has the molecular formula C17H15F2NS and a molecular weight of 303.38 g/mol. Its IUPAC name is 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
PubChem CID11335687
Molecular FormulaC17H15F2NS
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine
SMILESFc1cccc(Sc2ccccc2C2=CCNCC2)c1F
InChIInChI=1S/C17H15F2NS/c18-14-5-3-7-16(17(14)19)21-15-6-2-1-4-13(15)12-8-10-20-11-9-12/h1-8,20H,9-11H2
InChIKeyOTHVMQWRPPPVGO-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-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine (CID 11335687) is 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is Fc1cccc(Sc2ccccc2C2=CCNCC2)c1F.
What is the InChIKey of 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is OTHVMQWRPPPVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NS/c18-14-5-3-7-16(17(14)19)21-15-6-2-1-4-13(15)12-8-10-20-11-9-12/h1-8,20H,9-11H2.
What are the key properties of 4-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine?
4-[2-(2,3-difluorophenyl)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-[2-(2,3-difluorophenyl)sulfanylphenyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 11335687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).