1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propane

• ChemBase编号: 12090
• 分子式: C8F16O2
• 平均质量: 432.0588512
• 单一同位素质量: 431.96428076
• SMILES: O(C(=C(F)F)F)C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(=C(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F
• InChI: InChI=1S/C8F16O2/c9-1(10)2(11)25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17
• InChIKey: RJBJXVAPYONTFE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propane
• IUPAC传统名: 1,1,1,2,2,3,3-heptafluoro-3-({1,1,1,2,3,3-hexafluoro-3-[(trifluoroethenyl)oxy]propan-2-yl}oxy)propane
• 别名: Perfluoro(5-methyl-3,6-dioxanon-1-ene)

登记号

• CAS号: 1644-11-7
• MDL号: MFCD00191479
• PubChem SID: 160975397
• PubChem CID: 102662

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 6.222747
• LogD (pH = 7.4): 6.222747
• Log P: 6.222747
• 摩尔折射率: 65.548 cm^3
• 极化性: 17.328768 Å^3
• 极化表面积: 18.46 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 103-104°C
• 密度: 1.8

安全信息

• 保存注意事项: IRRITANT; Irritant/Keep Cold
• TSCA收录: false

产品相关信息

• 纯度: 97%