1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(pentafluoroethyl)cyclohexane

• ChemBase编号: 98348
• 分子式: C10F20
• 平均质量: 500.075064
• 单一同位素质量: 499.9680644
• SMILES: FC(C(C1(F)C(C(F)(C(F)(C(C1(F)F)(C(C(F)(F)F)(F)F)F)F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C1(F)C(F)(F)C(F)(C(C(F)(F)F)(F)F)C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F20/c11-1(6(19,20)9(25,26)27)3(13,14)2(12,7(21,22)10(28,29)30)5(17,18)8(23,24)4(1,15)16
• InChIKey: OIWXSBDFHALUCH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(pentafluoroethyl)cyclohexane
• IUPAC传统名: 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(pentafluoroethyl)cyclohexane
• 别名: Perfluoro(1,3-diethylcyclohexane)

登记号

• PubChem SID: 162105212
• PubChem CID: 45933664

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.4831
• LogD (pH = 7.4): 6.4831
• Log P: 6.4831
• 摩尔折射率: 47.2282 cm^3
• 极化性: 19.186644 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant