6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one

C15H9F2NO — CID 155810671

IUPAC6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2cccc(F)c2)cc2cc(F)ccc12
InChIInChI=1S/C15H9F2NO/c16-11-3-1-2-9(6-11)14-8-10-7-12(17)4-5-13(10)15(19)18-14/h1-8H,(H,18,19)
InChIKeyALUOVSMIKCVEQC-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.47
Rot. Bonds1

About 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one

6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one (PubChem CID 155810671) has the molecular formula C15H9F2NO and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one
PubChem CID155810671
Molecular FormulaC15H9F2NO
Molecular Weight257.24 g/mol
Exact Mass257.07
IUPAC Name6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2cccc(F)c2)cc2cc(F)ccc12
InChIInChI=1S/C15H9F2NO/c16-11-3-1-2-9(6-11)14-8-10-7-12(17)4-5-13(10)15(19)18-14/h1-8H,(H,18,19)
InChIKeyALUOVSMIKCVEQC-UHFFFAOYSA-N
XLogP3.47
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one?
The IUPAC name of 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one (CID 155810671) is 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one?
The canonical SMILES for 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one is O=c1[nH]c(-c2cccc(F)c2)cc2cc(F)ccc12.
What is the InChIKey of 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one?
The InChIKey is ALUOVSMIKCVEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO/c16-11-3-1-2-9(6-11)14-8-10-7-12(17)4-5-13(10)15(19)18-14/h1-8H,(H,18,19).
What are the key properties of 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one?
6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one has a molecular weight of 257.24 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 155810671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).