1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 251228
• Molecular Formular: C10H9FN2O2
• Molecular Mass: 208.1890632
• Monoisotopic Mass: 208.06480576
• SMILES: C1(=O)NC(=O)C(N1c1ccc(cc1)F)C
• Canonical SMILES: CC1C(=O)NC(=O)N1c1ccc(cc1)F
• InChI: InChI=1S/C10H9FN2O2/c1-6-9(14)12-10(15)13(6)8-4-2-7(11)3-5-8/h2-6H,1H3,(H,12,14,15)
• InChIKey: ROVJZYRAYUJYKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 1-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD06673463
• PubChem SID: 164307138
• PubChem CID: 4780007

CALCULATED PROPERTIES

• Acid pKa: 9.078581
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.142767
• LogD (pH = 7.4): 1.1339747
• Log P: 1.1428802
• Molar Refractivity: 50.4307 cm^3
• Polarizability: 19.137152 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 187 - 189°C
• Hydrophobicity(logP): 1.496

Product Information

• Purity: 95%