6-fluoro-3-(2-fluorophenyl)isoquinoline

C15H9F2N — CID 25058380

IUPAC6-fluoro-3-(2-fluorophenyl)isoquinoline
SMILESFc1ccc2cnc(-c3ccccc3F)cc2c1
InChIInChI=1S/C15H9F2N/c16-12-6-5-10-9-18-15(8-11(10)7-12)13-3-1-2-4-14(13)17/h1-9H
InChIKeyMLSXMYFKKPFNMG-UHFFFAOYSA-N
MW241.24 g/mol
LogP4.18
Rot. Bonds1

About 6-fluoro-3-(2-fluorophenyl)isoquinoline

6-fluoro-3-(2-fluorophenyl)isoquinoline (PubChem CID 25058380) has the molecular formula C15H9F2N and a molecular weight of 241.24 g/mol. Its IUPAC name is 6-fluoro-3-(2-fluorophenyl)isoquinoline.

Molecular Properties

Compound Name6-fluoro-3-(2-fluorophenyl)isoquinoline
PubChem CID25058380
Molecular FormulaC15H9F2N
Molecular Weight241.24 g/mol
Exact Mass241.07
IUPAC Name6-fluoro-3-(2-fluorophenyl)isoquinoline
SMILESFc1ccc2cnc(-c3ccccc3F)cc2c1
InChIInChI=1S/C15H9F2N/c16-12-6-5-10-9-18-15(8-11(10)7-12)13-3-1-2-4-14(13)17/h1-9H
InChIKeyMLSXMYFKKPFNMG-UHFFFAOYSA-N
XLogP4.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(2-fluorophenyl)isoquinoline?
The IUPAC name of 6-fluoro-3-(2-fluorophenyl)isoquinoline (CID 25058380) is 6-fluoro-3-(2-fluorophenyl)isoquinoline.
What is the SMILES notation for 6-fluoro-3-(2-fluorophenyl)isoquinoline?
The canonical SMILES for 6-fluoro-3-(2-fluorophenyl)isoquinoline is Fc1ccc2cnc(-c3ccccc3F)cc2c1.
What is the InChIKey of 6-fluoro-3-(2-fluorophenyl)isoquinoline?
The InChIKey is MLSXMYFKKPFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N/c16-12-6-5-10-9-18-15(8-11(10)7-12)13-3-1-2-4-14(13)17/h1-9H.
What are the key properties of 6-fluoro-3-(2-fluorophenyl)isoquinoline?
6-fluoro-3-(2-fluorophenyl)isoquinoline has a molecular weight of 241.24 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(2-fluorophenyl)isoquinoline is sourced from PubChem (CID 25058380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).