2,6-bis(trifluoromethyl)pyridin-4-amine

• ChemBase编号: 815898
• 分子式: C7H4F6N2
• 平均质量: 230.1104792
• 单一同位素质量: 230.02786746
• SMILES: Nc1cc(nc(c1)C(F)(F)F)C(F)(F)F
• Canonical SMILES: Nc1cc(nc(c1)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C7H4F6N2/c8-6(9,10)4-1-3(14)2-5(15-4)7(11,12)13/h1-2H,(H2,14,15)
• InChIKey: KPSPGGWCQFNRNP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,6-bis(trifluoromethyl)pyridin-4-amine
• IUPAC传统名: 2,6-bis(trifluoromethyl)pyridin-4-amine
• 别名: 2,6-BIS-TRIFLUOROMETHYL-PYRIDIN-4-YLAMINE

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.4539895
• LogD (pH = 7.4): 2.4540443
• Log P: 2.454045
• 摩尔折射率: 39.8049 cm^3
• 极化性: 13.672514 Å^3
• 极化表面积: 38.91 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 98%