1-(4-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 61256
• Molecular Formular: C10H6FNO2
• Molecular Mass: 191.1585432
• Monoisotopic Mass: 191.03825666
• SMILES: N1(C(=O)C=CC1=O)c1ccc(cc1)F
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)F
• InChI: InChI=1S/C10H6FNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
• InChIKey: SBKKXWSZVVDOLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4-fluorophenyl)pyrrole-2,5-dione
• Synonyms: 1-(4-Fluorophenyl)-1H-pyrrole-2,5-dione; N-(4-Fluoro-phenyl)maleimide; 1-(4-Fluoro-phenyl)-pyrrole-2,5-dione

Database IDs

• CAS Number: 6633-22-3
• MDL Number: MFCD00033653
• PubChem SID: 162026997
• PubChem CID: 96153

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3884326
• LogD (pH = 7.4): 1.3884335
• Log P: 1.3884336
• Molar Refractivity: 48.2421 cm^3
• Polarizability: 17.718021 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 160 - 162°C
• Hydrophobicity(logP): 1.572

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%