2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

• ChemBase编号: 100521
• 分子式: C8H2ClF13
• 平均质量: 380.5337216
• 单一同位素质量: 379.9637446
• SMILES: ClC(=C)C(C(F)(F)C(F)(C(F)(F)C(C(F)(F)F)(F)F)F)(F)F
• Canonical SMILES: ClC(=C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H2ClF13/c1-2(9)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1H2
• InChIKey: SZFSPMFXRJVSPT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• IUPAC传统名: 2-chloro-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
• 别名: 2-1H,1H-Chloroperfluorooct-1-ene; 1-Chloro-1-(perfluorohexyl)ethylene

登记号

• MDL号: MFCD00155723
• PubChem SID: 162086479
• PubChem CID: 2736637

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.5978475
• LogD (pH = 7.4): 5.5978475
• Log P: 5.5978475
• 摩尔折射率: 44.638 cm^3
• 极化性: 17.083096 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant