1,1,2,2,3,3,4,4-octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane

• ChemBase编号: 95976
• 分子式: C11H8F16O2
• 平均质量: 476.1544712
• 单一同位素质量: 476.02688102
• SMILES: FC(C(C(F)F)(F)F)(C(F)(F)COCOCC(C(C(C(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(COCOCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C11H8F16O2/c12-4(13)8(20,21)10(24,25)6(16,17)1-28-3-29-2-7(18,19)11(26,27)9(22,23)5(14)15/h4-5H,1-3H2
• InChIKey: WRQVEYLQVQPLKN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4-octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane
• IUPAC传统名: 1,1,2,2,3,3,4,4-octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane
• 别名: 1,1,2,2,3,3,4,4-octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane

登记号

• MDL号: MFCD00101850
• PubChem SID: 162082625
• PubChem CID: 618624

理论计算性质

• Acid pKa: 19.488518
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.3242025
• LogD (pH = 7.4): 5.3242025
• Log P: 5.3242025
• 摩尔折射率: 55.9943 cm^3
• 极化性: 22.290257 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false