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

• ChemBase ID: 269337
• Molecular Formular: C10H8BrFN2O2
• Molecular Mass: 287.0851232
• Monoisotopic Mass: 285.97531773
• SMILES: C1(C(=O)NC(=O)N1)(c1c(cc(cc1)F)Br)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1ccc(cc1Br)F
• InChI: InChI=1S/C10H8BrFN2O2/c1-10(8(15)13-9(16)14-10)6-3-2-5(12)4-7(6)11/h2-4H,1H3,(H2,13,14,15,16)
• InChIKey: KJYHFTNCVUKMRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16817553
• PubChem SID: 164325247
• PubChem CID: 50987603

CALCULATED PROPERTIES

• Polarizability: 22.172323 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 8.961676
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8302811
• LogD (pH = 7.4): 1.8188103
• Log P: 1.8304294
• Molar Refractivity: 57.9565 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.052

Product Information

• Purity: 95%