tridecafluoroheptanenitrile

• ChemBase编号: 93556
• 分子式: C7F13N
• 平均质量: 345.0608416
• 单一同位素质量: 344.98231587
• SMILES: FC(C(C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: N#CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C7F13N/c8-2(9,1-21)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20
• InChIKey: NBBJALWGNSZLRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tridecafluoroheptanenitrile
• IUPAC传统名: tridecafluoroheptanenitrile
• 别名: Perfluoroheptanenitrile

登记号

• CAS号: 62038-08-8
• MDL号: MFCD03424480
• PubChem SID: 162080241
• PubChem CID: 2782568

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.470145
• LogD (pH = 7.4): 4.470145
• Log P: 4.470145
• 摩尔折射率: 35.9732 cm^3
• 极化性: 13.895928 Å^3
• 极化表面积: 23.79 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 82-83°C

安全信息

• 保存注意事项: Irritant