10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione

C19H10FNO4 — CID 19353296

IUPAC10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
SMILESO=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc(F)cc1)OCO3
InChIInChI=1S/C19H10FNO4/c20-11-4-1-9(2-5-11)14-15-10(3-6-13-17(15)25-8-24-13)7-12-16(14)19(23)21-18(12)22/h1-7H,8H2,(H,21,22,23)
InChIKeyILCBZKIKEHEXQZ-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.26
Rot. Bonds1

About 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione

10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione (PubChem CID 19353296) has the molecular formula C19H10FNO4 and a molecular weight of 335.29 g/mol. Its IUPAC name is 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione.

Molecular Properties

Compound Name10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
PubChem CID19353296
Molecular FormulaC19H10FNO4
Molecular Weight335.29 g/mol
Exact Mass335.06
IUPAC Name10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione
SMILESO=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc(F)cc1)OCO3
InChIInChI=1S/C19H10FNO4/c20-11-4-1-9(2-5-11)14-15-10(3-6-13-17(15)25-8-24-13)7-12-16(14)19(23)21-18(12)22/h1-7H,8H2,(H,21,22,23)
InChIKeyILCBZKIKEHEXQZ-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The IUPAC name of 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione (CID 19353296) is 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione.
What is the SMILES notation for 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The canonical SMILES for 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione is O=C1NC(=O)c2c1cc1ccc3c(c1c2-c1ccc(F)cc1)OCO3.
What is the InChIKey of 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
The InChIKey is ILCBZKIKEHEXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FNO4/c20-11-4-1-9(2-5-11)14-15-10(3-6-13-17(15)25-8-24-13)7-12-16(14)19(23)21-18(12)22/h1-7H,8H2,(H,21,22,23).
What are the key properties of 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione?
10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione has a molecular weight of 335.29 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-fluorophenyl)-[1,3]benzodioxolo[7,6-f]isoindole-7,9-dione is sourced from PubChem (CID 19353296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).