undecafluorohexanenitrile

• ChemBase编号: 99746
• 分子式: C6F11N
• 平均质量: 295.0533352
• 单一同位素质量: 294.98550943
• SMILES: N#CC(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17
• InChIKey: SIRKRRJSXWDMMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: undecafluorohexanenitrile
• IUPAC传统名: undecafluorohexanenitrile
• 别名: 2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexanenitrile; Perfluorohexanenitrile 97+%

登记号

• CAS号: 23790-49-0
• PubChem SID: 162085996
• PubChem CID: 13568447

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.7695026
• LogD (pH = 7.4): 3.7695026
• Log P: 3.7695026
• 摩尔折射率: 31.3052 cm^3
• 极化性: 11.978965 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful/Toxic