7-fluoro-3-thiophen-3-ylisoquinoline

C13H8FNS — CID 25058383

IUPAC7-fluoro-3-thiophen-3-ylisoquinoline
SMILESFc1ccc2cc(-c3ccsc3)ncc2c1
InChIInChI=1S/C13H8FNS/c14-12-2-1-9-6-13(10-3-4-16-8-10)15-7-11(9)5-12/h1-8H
InChIKeyBGDXDPFPYROPGY-UHFFFAOYSA-N
MW229.28 g/mol
LogP4.10
Rot. Bonds1

About 7-fluoro-3-thiophen-3-ylisoquinoline

7-fluoro-3-thiophen-3-ylisoquinoline (PubChem CID 25058383) has the molecular formula C13H8FNS and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-fluoro-3-thiophen-3-ylisoquinoline.

Molecular Properties

Compound Name7-fluoro-3-thiophen-3-ylisoquinoline
PubChem CID25058383
Molecular FormulaC13H8FNS
Molecular Weight229.28 g/mol
Exact Mass229.04
IUPAC Name7-fluoro-3-thiophen-3-ylisoquinoline
SMILESFc1ccc2cc(-c3ccsc3)ncc2c1
InChIInChI=1S/C13H8FNS/c14-12-2-1-9-6-13(10-3-4-16-8-10)15-7-11(9)5-12/h1-8H
InChIKeyBGDXDPFPYROPGY-UHFFFAOYSA-N
XLogP4.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-thiophen-3-ylisoquinoline?
The IUPAC name of 7-fluoro-3-thiophen-3-ylisoquinoline (CID 25058383) is 7-fluoro-3-thiophen-3-ylisoquinoline.
What is the SMILES notation for 7-fluoro-3-thiophen-3-ylisoquinoline?
The canonical SMILES for 7-fluoro-3-thiophen-3-ylisoquinoline is Fc1ccc2cc(-c3ccsc3)ncc2c1.
What is the InChIKey of 7-fluoro-3-thiophen-3-ylisoquinoline?
The InChIKey is BGDXDPFPYROPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNS/c14-12-2-1-9-6-13(10-3-4-16-8-10)15-7-11(9)5-12/h1-8H.
What are the key properties of 7-fluoro-3-thiophen-3-ylisoquinoline?
7-fluoro-3-thiophen-3-ylisoquinoline has a molecular weight of 229.28 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-thiophen-3-ylisoquinoline is sourced from PubChem (CID 25058383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).