7-fluoro-1H-isochromen-4-one

C9H7FO2 — CID 71433199

IUPAC7-fluoro-1H-isochromen-4-one
SMILESO=C1COCc2cc(F)ccc21
InChIInChI=1S/C9H7FO2/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-3H,4-5H2
InChIKeyCJUCHCNBYVPXQE-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.54
Rot. Bonds

About 7-fluoro-1H-isochromen-4-one

7-fluoro-1H-isochromen-4-one (PubChem CID 71433199) has the molecular formula C9H7FO2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 7-fluoro-1H-isochromen-4-one.

Molecular Properties

Compound Name7-fluoro-1H-isochromen-4-one
PubChem CID71433199
Molecular FormulaC9H7FO2
Molecular Weight166.15 g/mol
Exact Mass166.04
IUPAC Name7-fluoro-1H-isochromen-4-one
SMILESO=C1COCc2cc(F)ccc21
InChIInChI=1S/C9H7FO2/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-3H,4-5H2
InChIKeyCJUCHCNBYVPXQE-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-1H-isochromen-4-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-1H-isochromen-4-one?
The IUPAC name of 7-fluoro-1H-isochromen-4-one (CID 71433199) is 7-fluoro-1H-isochromen-4-one.
What is the SMILES notation for 7-fluoro-1H-isochromen-4-one?
The canonical SMILES for 7-fluoro-1H-isochromen-4-one is O=C1COCc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-1H-isochromen-4-one?
The InChIKey is CJUCHCNBYVPXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2/c10-7-1-2-8-6(3-7)4-12-5-9(8)11/h1-3H,4-5H2.
What are the key properties of 7-fluoro-1H-isochromen-4-one?
7-fluoro-1H-isochromen-4-one has a molecular weight of 166.15 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1H-isochromen-4-one is sourced from PubChem (CID 71433199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).