2-(3-fluorophenoxy)ethanimidamide

• ChemBase编号: 307362
• 分子式: C8H9FN2O
• 平均质量: 168.1682632
• 单一同位素质量: 168.06989114
• SMILES: C(=N)(COc1cc(F)ccc1)N
• Canonical SMILES: NC(=N)COc1cccc(c1)F
• InChI: InChI=1S/C8H9FN2O/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
• InChIKey: QIYAXFBHGMCITE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(3-fluorophenoxy)ethanimidamide
• IUPAC传统名: 2-(3-fluorophenoxy)ethanimidamide
• 别名: 2-(3-fluorophenoxy)ethanimidamide

登记号

• MDL号: MFCD09055326

理论计算性质

• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): -1.7087489
• LogD (pH = 7.4): -1.3382251
• Log P: 0.6991454
• 摩尔折射率: 53.2385 cm^3
• 极化性: 16.251623 Å^3
• 极化表面积: 59.1 Å^2