1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione

C11H8FNO2 — CID 2732627

IUPAC1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H8FNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyCXYSJIIRJSNRJG-UHFFFAOYSA-N
MW205.19 g/mol
LogP1.65
Rot. Bonds1

About 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione

1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione (PubChem CID 2732627) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione
PubChem CID2732627
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C11H8FNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3
InChIKeyCXYSJIIRJSNRJG-UHFFFAOYSA-N
XLogP1.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione (CID 2732627) is 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione?
The InChIKey is CXYSJIIRJSNRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c1-7-6-10(14)13(11(7)15)9-4-2-8(12)3-5-9/h2-6H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione?
1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione has a molecular weight of 205.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 2732627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).