(4as,8as)-octadecafluoro-decahydronaphthalene

• ChemBase编号: 98679
• 分子式: C10F18
• 平均质量: 462.0782576
• 单一同位素质量: 461.97125796
• SMILES: FC1(C([C@]2(F)C(C(F)(C(C([C@]2(F)C(C1(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)F
• Canonical SMILES: F[C@]12[C@@](F)(C(F)(F)C(C(C2(F)F)(F)F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16/t1-,2+
• InChIKey: UWEYRJFJVCLAGH-XIXRPRMCSA-N

名称和登记号

名称

• IUPAC标准名: (4as,8as)-octadecafluoro-decahydronaphthalene
• IUPAC传统名: (4as,8as)-octadecafluoronaphthalene
• 别名: trans-Perfluorodecalin 96%

登记号

• MDL号: MFCD00153232
• PubChem SID: 162085065
• PubChem CID: 9386

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.802668
• LogD (pH = 7.4): 5.802668
• Log P: 5.802668
• 摩尔折射率: 43.695 cm^3
• 极化性: 18.245485 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false