difluoro(pentafluoroethyl)amine

• ChemBase编号: 128874
• 分子式: C2F7N
• 平均质量: 171.0169224
• 单一同位素质量: 170.99189655
• SMILES: C(C(F)(F)F)(N(F)F)(F)F
• Canonical SMILES: FN(C(C(F)(F)F)(F)F)F
• InChI: InChI=1S/C2F7N/c3-1(4,5)2(6,7)10(8)9
• InChIKey: XEIJMVGQZDKEPZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: difluoro(pentafluoroethyl)amine
• IUPAC传统名: perfluoroethanamine
• 别名: Bis(trifluoromethyl)fluoroamineHeptafluoro-ethanamine; Perfluoroethanamine

登记号

• CAS号: 354-80-3
• PubChem SID: 162223177
• PubChem CID: 136190
• 维基百科标题: Perfluoroethanamine

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.512877
• LogD (pH = 7.4): 1.512877
• Log P: 1.512877
• 摩尔折射率: 17.7154 cm^3
• 极化性: 6.321439 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true