1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(heptafluoropropan-2-yl)cyclohexane

• ChemBase编号: 97988
• 分子式: C9F18
• 平均质量: 450.0675576
• 单一同位素质量: 449.97125796
• SMILES: FC1(C(C(F)(F)F)(F)C(F)(F)F)C(C(C(F)(C(C1(F)F)(F)F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• InChI: InChI=1S/C9F18/c10-1(2(11,8(22,23)24)9(25,26)27)3(12,13)5(16,17)7(20,21)6(18,19)4(1,14)15
• InChIKey: OXQHQHZMHCGTFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(heptafluoropropan-2-yl)cyclohexane
• IUPAC传统名: 1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(heptafluoropropan-2-yl)cyclohexane
• 别名: (1,1,1,2,3,3,3-Heptafluoroprop-2-yl)undecafluorocyclohexane; Octadecafluoro(isopropylcyclohexane); Perfluoro(isopropylcyclohexane)

登记号

• CAS号: 423-02-9
• PubChem SID: 162084463
• PubChem CID: 10138769

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.7824574
• LogD (pH = 7.4): 5.7824574
• Log P: 5.7824574
• 摩尔折射率: 42.5602 cm^3
• 极化性: 17.268389 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 124-125°C/749mm

安全信息

• 保存注意事项: Harmful/Irritant