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

• ChemBase编号: 8995
• 分子式: C11HF23O3
• 平均质量: 618.0871136
• 单一同位素质量: 617.95584295
• SMILES: O(C(C(F)(F)F)F)C(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F
• Canonical SMILES: FC(C(F)(F)F)OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F
• InChI: InChI=1S/C11HF23O3/c12-1(2(13,14)15)35-10(31,32)4(18,7(23,24)25)37-11(33,34)5(19,8(26,27)28)36-9(29,30)3(16,17)6(20,21)22/h1H
• InChIKey: QRLOKTBZZPZAMX-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-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]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-{[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)propan-2-yl]oxy}propan-2-yl)oxy]propane
• 别名: 2H-Perfluoro(5,8-dimethyl-3,6,9-trioxadodecane) 97%; 2H-Perfluoro-5,8-dimethyl-3,6,9-trioxadodecane

登记号

• CAS号: 3330-16-3
• MDL号: MFCD00054715
• PubChem SID: 160972302
• PubChem CID: 102983

理论计算性质

• Acid pKa: 18.865005
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 8.752976
• LogD (pH = 7.4): 8.752976
• Log P: 8.752976
• 摩尔折射率: 62.4254 cm^3
• 极化性: 24.331192 Å^3
• 极化表面积: 27.69 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -106.7°C
• 沸点: 151-154°C
• 密度: 1.72; 1.723
• 折射率: 1.2654; 1.2678

安全信息

• 保存注意事项: Irritant
• TSCA收录: true

产品相关信息

• 纯度: 97%