1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

• ChemBase编号: 93571
• 分子式: C7H4F12O
• 平均质量: 332.0868984
• 单一同位素质量: 332.00705339
• SMILES: O(C(F)(F)C(F)F)CC(C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(OCC(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2
• InChIKey: ZNBGTBKGFZMWKR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
• IUPAC传统名: 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
• 别名: 1H,1H,5H-Perfluoropentyl-1,1,2,2-tetrafluoroethylether; 1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

登记号

• CAS号: 16627-71-7
• MDL号: MFCD00155904
• PubChem SID: 162080256
• PubChem CID: 2782579

理论计算性质

• Acid pKa: 18.829731
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.007288
• LogD (pH = 7.4): 4.007288
• Log P: 4.007288
• 摩尔折射率: 36.7024 cm^3
• 极化性: 14.454185 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 133°C

安全信息

• 保存注意事项: Irritant

产品相关信息

• 纯度: 98%