1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

• ChemBase编号: 95039
• 分子式: C8HClF16
• 平均质量: 436.5209912
• 单一同位素质量: 435.95112923
• SMILES: FC(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8HClF16/c9-8(24,25)7(22,23)6(20,21)5(18,19)4(16,17)3(14,15)2(12,13)1(10)11/h1H
• InChIKey: GGRHPDUABIVHSS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• IUPAC传统名: 1-chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
• 别名: 1-Chloro-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane

登记号

• CAS号: 423-53-0
• MDL号: MFCD00155674
• PubChem SID: 162081690
• PubChem CID: 6451864

理论计算性质

• Acid pKa: 19.78678
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.0035
• LogD (pH = 7.4): 6.0035
• Log P: 6.0035
• 摩尔折射率: 44.8223 cm^3
• 极化性: 17.833403 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 178°C