7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one

C8H6FNO2 — CID 45120090

IUPAC7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(O)c(F)c21
InChIInChI=1S/C8H6FNO2/c9-7-5(11)2-1-4-3-10-8(12)6(4)7/h1-2,11H,3H2,(H,10,12)
InChIKeyKKGHQIBYWKTWHN-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.77
Rot. Bonds

About 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one

7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one (PubChem CID 45120090) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
PubChem CID45120090
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2ccc(O)c(F)c21
InChIInChI=1S/C8H6FNO2/c9-7-5(11)2-1-4-3-10-8(12)6(4)7/h1-2,11H,3H2,(H,10,12)
InChIKeyKKGHQIBYWKTWHN-UHFFFAOYSA-N
XLogP0.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one (CID 45120090) is 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one is O=C1NCc2ccc(O)c(F)c21.
What is the InChIKey of 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
The InChIKey is KKGHQIBYWKTWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-7-5(11)2-1-4-3-10-8(12)6(4)7/h1-2,11H,3H2,(H,10,12).
What are the key properties of 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one has a molecular weight of 167.14 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 45120090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).