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

C8H6FNO2 — CID 45120091

IUPAC5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(O)cc21
InChIInChI=1S/C8H6FNO2/c9-6-1-4-3-10-8(12)5(4)2-7(6)11/h1-2,11H,3H2,(H,10,12)
InChIKeyXDCZVYFOCSBMCW-UHFFFAOYSA-N
MW167.14 g/mol
LogP0.77
Rot. Bonds

About 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one

5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one (PubChem CID 45120091) has the molecular formula C8H6FNO2 and a molecular weight of 167.14 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
PubChem CID45120091
Molecular FormulaC8H6FNO2
Molecular Weight167.14 g/mol
Exact Mass167.04
IUPAC Name5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(F)c(O)cc21
InChIInChI=1S/C8H6FNO2/c9-6-1-4-3-10-8(12)5(4)2-7(6)11/h1-2,11H,3H2,(H,10,12)
InChIKeyXDCZVYFOCSBMCW-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 5-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

Related Compounds

CID 71517903
CID 71517903
CID 10702443
CID 10702443
CID 10476003
CID 10476003
CID 164616941
CID 164616941
CID 14005623
CID 14005623
CID 10558950
CID 10558950
CID 164610519
CID 164610519
CID 4388265
CID 4388265
CID 57510258
CID 57510258
CID 10725983
CID 10725983
CID 11528364
CID 11528364
CID 13012636
CID 13012636

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one (CID 45120091) is 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one is O=C1NCc2cc(F)c(O)cc21.
What is the InChIKey of 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
The InChIKey is XDCZVYFOCSBMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2/c9-6-1-4-3-10-8(12)5(4)2-7(6)11/h1-2,11H,3H2,(H,10,12).
What are the key properties of 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one?
5-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 5-fluoro-6-hydroxy-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 45120091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).