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

• ChemBase编号: 249158
• 分子式: C15H10F2N2O2
• 平均质量: 288.2489064
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
• IUPAC传统名: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione
• 别名: 5,5-bis(4-fluorophenyl)imidazolidine-2,4-dione

登记号

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

理论计算性质

• Acid pKa: 8.753626
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 2.433085
• LogD (pH = 7.4): 2.4147196
• Log P: 2.4333243
• 摩尔折射率: 70.6151 cm^3
• 极化性: 26.56224 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 228 - 230°C
• 疏水性(logP): 2.371

产品相关信息

• 纯度: 95%