1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane

• ChemBase编号: 94128
• 分子式: C10F20
• 平均质量: 500.075064
• 单一同位素质量: 499.9680644
• SMILES: FC1(F)C(F)(C(F)(F)F)C(C(F)(F)F)(C(C(F)(F)F)(C(C1(F)F)(C(F)(F)F)F)F)F
• Canonical SMILES: FC(C1(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(C(C1(F)C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F20/c11-1(7(19,20)21)2(12,8(22,23)24)4(14,10(28,29)30)6(17,18)5(15,16)3(1,13)9(25,26)27
• InChIKey: SYLFCPLQRJNYJN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane
• IUPAC传统名: 1,1,2,2,3,4,5,6-octafluoro-3,4,5,6-tetrakis(trifluoromethyl)cyclohexane
• 别名: Perfluorotetramethylcyclohexane 97%

登记号

• MDL号: MFCD09258992
• PubChem SID: 162080783
• PubChem CID: 2776376

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.9597726
• LogD (pH = 7.4): 5.9597726
• Log P: 5.9597726
• 摩尔折射率: 47.7764 cm^3
• 极化性: 19.19154 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

理化性质

• 沸点: 144-146°C

安全信息

• 保存注意事项: Irritant