bis(pentafluoroethyl)(trifluoromethyl)amine

• ChemBase编号: 128876
• 分子式: C5F13N
• 平均质量: 321.0394416
• 单一同位素质量: 320.98231587
• SMILES: C(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(F)(F)F)(F)F
• Canonical SMILES: FC(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F13N/c6-1(7,8)3(12,13)19(5(16,17)18)4(14,15)2(9,10)11
• InChIKey: KMPITNDOTGKQSE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: bis(pentafluoroethyl)(trifluoromethyl)amine
• IUPAC传统名: perfluoromethyldiethylamine
• 别名: Perfluoromethyldiethylamine

登记号

• CAS号: 758-48-5
• PubChem SID: 162223179
• PubChem CID: 136571
• 维基百科标题: Perfluoromethyldiethylamine

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.385422
• LogD (pH = 7.4): 5.385422
• Log P: 5.385422
• 摩尔折射率: 28.6256 cm^3
• 极化性: 12.077264 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -123.05°C (150.1K)