2-fluoro-5-(trifluoromethyl)pyridin-3-amine

• ChemBase编号: 801157
• 分子式: C6H4F4N2
• 平均质量: 180.1029728
• 单一同位素质量: 180.03106102
• SMILES: n1c(c(cc(c1)C(F)(F)F)N)F
• Canonical SMILES: Fc1ncc(cc1N)C(F)(F)F
• InChI: InChI=1S/C6H4F4N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2
• InChIKey: QVCVVVPWXVZZTP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-fluoro-5-(trifluoromethyl)pyridin-3-amine
• IUPAC传统名: 2-fluoro-5-(trifluoromethyl)pyridin-3-amine
• 别名: 2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDIN-3-AMINE

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.3411285
• LogD (pH = 7.4): 1.3411285
• Log P: 1.3411285
• 摩尔折射率: 35.8063 cm^3
• 极化性: 11.857392 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%