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

• ChemBase编号: 97719
• 分子式: C10F20
• 平均质量: 500.075064
• 单一同位素质量: 499.9680644
• SMILES: FC1(C(C(C(C(C1(C(F)(F)F)F)(F)F)(F)C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)F)F
• Canonical SMILES: FC(C(C1(F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F20/c11-1(7(20,21)10(28,29)30)4(14,15)2(12,8(22,23)24)6(18,19)3(13,5(1,16)17)9(25,26)27
• InChIKey: OPBDICCMIAULLE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,3,3,4,5,5,6-nonafluoro-2-(pentafluoroethyl)-4,6-bis(trifluoromethyl)cyclohexane
• IUPAC传统名: 1,1,2,3,3,4,5,5,6-nonafluoro-2-(pentafluoroethyl)-4,6-bis(trifluoromethyl)cyclohexane
• 别名: 2,4-Bis(trifluoromethyl)-1,1,2,3,3,4,5,5,6-nonafluoro-6-(pentafluoroethyl)cyclohexane; Perfluoro(1,3-dimethyl-5-ethylcyclohexane)

登记号

• MDL号: MFCD04972337
• PubChem SID: 162084282
• PubChem CID: 2778370

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.221436
• LogD (pH = 7.4): 6.221436
• Log P: 6.221436
• 摩尔折射率: 47.5023 cm^3
• 极化性: 19.188665 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
• 闪点: none°C

安全信息

• 保存注意事项: Irritant