5-(3,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

• ChemBase编号: 240307
• 分子式: C10H8F2N2O2
• 平均质量: 226.1795264
• 单一同位素质量: 226.05538395
• SMILES: N1C(=O)C(NC1=O)(c1cc(cc(c1)F)F)C
• Canonical SMILES: O=C1NC(=O)NC1(C)c1cc(F)cc(c1)F
• InChI: InChI=1S/C10H8F2N2O2/c1-10(8(15)13-9(16)14-10)5-2-6(11)4-7(12)3-5/h2-4H,1H3,(H2,13,14,15,16)
• InChIKey: YXEHPRKMPWNDLH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(3,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
• IUPAC传统名: 5-(3,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
• 别名: 5-(3,5-difluorophenyl)-5-methylimidazolidine-2,4-dione

登记号

• MDL号: MFCD22392110
• PubChem SID: 164296217
• PubChem CID: 59370461

理论计算性质

• Acid pKa: 8.950497
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.2042266
• LogD (pH = 7.4): 1.1924609
• Log P: 1.2043787
• 摩尔折射率: 50.5501 cm^3
• 极化性: 18.96578 Å^3
• 极化表面积: 58.2 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 1.332

产品相关信息

• 纯度: 95%