5-(2,6-difluorophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 258303
• Molecular Formular: C10H8F2N2O2
• Molecular Mass: 226.1795264
• Monoisotopic Mass: 226.05538395
• SMILES: C1(C(=O)NC(=O)N1)(c1c(F)cccc1F)C
• Canonical SMILES: O=C1NC(=O)NC1(C)c1c(F)cccc1F
• InChI: InChI=1S/C10H8F2N2O2/c1-10(8(15)13-9(16)14-10)7-5(11)3-2-4-6(7)12/h2-4H,1H3,(H2,13,14,15,16)
• InChIKey: WJVWKJADHBGWRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-difluorophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(2,6-difluorophenyl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-(2,6-difluorophenyl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD09732902
• PubChem SID: 164314213
• PubChem CID: 16786159

CALCULATED PROPERTIES

• Acid pKa: 8.902151
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.2042086
• LogD (pH = 7.4): 1.1910794
• Log P: 1.2043787
• Molar Refractivity: 50.5501 cm^3
• Polarizability: 18.96544 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 1.332

Product Information

• Purity: 95%