5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione

• ChemBase ID: 249158
• Molecular Formular: C15H10F2N2O2
• Molecular Mass: 288.2489064
• Monoisotopic Mass: 288.07103401
• SMILES: C1(=O)NC(=O)NC1(c1ccc(cc1)F)c1ccc(cc1)F
• Canonical SMILES: O=C1NC(=O)NC1(c1ccc(cc1)F)c1ccc(cc1)F
• InChI: InChI=1S/C15H10F2N2O2/c16-11-5-1-9(2-6-11)15(13(20)18-14(21)19-15)10-3-7-12(17)8-4-10/h1-8H,(H2,18,19,20,21)
• InChIKey: OQEQEUCZWDWVLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
• Synonyms: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione

Database IDs

• CAS Number: 70028-85-2
• MDL Number: MFCD06655621
• PubChem SID: 164305068
• PubChem CID: 4962190

CALCULATED PROPERTIES

• Acid pKa: 8.753626
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.433085
• LogD (pH = 7.4): 2.4147196
• Log P: 2.4333243
• Molar Refractivity: 70.6151 cm^3
• Polarizability: 26.56224 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 230°C
• Hydrophobicity(logP): 2.371

Product Information

• Purity: 95%