6,7-difluoro-3-thiophen-3-ylquinoline

C13H7F2NS — CID 10106010

IUPAC6,7-difluoro-3-thiophen-3-ylquinoline
SMILESFc1cc2cc(-c3ccsc3)cnc2cc1F
InChIInChI=1S/C13H7F2NS/c14-11-4-9-3-10(8-1-2-17-7-8)6-16-13(9)5-12(11)15/h1-7H
InChIKeyRAEOQRGQVOSWAJ-UHFFFAOYSA-N
MW247.27 g/mol
LogP4.24
Rot. Bonds1

About 6,7-difluoro-3-thiophen-3-ylquinoline

6,7-difluoro-3-thiophen-3-ylquinoline (PubChem CID 10106010) has the molecular formula C13H7F2NS and a molecular weight of 247.27 g/mol. Its IUPAC name is 6,7-difluoro-3-thiophen-3-ylquinoline.

Molecular Properties

Compound Name6,7-difluoro-3-thiophen-3-ylquinoline
PubChem CID10106010
Molecular FormulaC13H7F2NS
Molecular Weight247.27 g/mol
Exact Mass247.03
IUPAC Name6,7-difluoro-3-thiophen-3-ylquinoline
SMILESFc1cc2cc(-c3ccsc3)cnc2cc1F
InChIInChI=1S/C13H7F2NS/c14-11-4-9-3-10(8-1-2-17-7-8)6-16-13(9)5-12(11)15/h1-7H
InChIKeyRAEOQRGQVOSWAJ-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-thiophen-3-ylquinoline?
The IUPAC name of 6,7-difluoro-3-thiophen-3-ylquinoline (CID 10106010) is 6,7-difluoro-3-thiophen-3-ylquinoline.
What is the SMILES notation for 6,7-difluoro-3-thiophen-3-ylquinoline?
The canonical SMILES for 6,7-difluoro-3-thiophen-3-ylquinoline is Fc1cc2cc(-c3ccsc3)cnc2cc1F.
What is the InChIKey of 6,7-difluoro-3-thiophen-3-ylquinoline?
The InChIKey is RAEOQRGQVOSWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NS/c14-11-4-9-3-10(8-1-2-17-7-8)6-16-13(9)5-12(11)15/h1-7H.
What are the key properties of 6,7-difluoro-3-thiophen-3-ylquinoline?
6,7-difluoro-3-thiophen-3-ylquinoline has a molecular weight of 247.27 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-thiophen-3-ylquinoline is sourced from PubChem (CID 10106010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).