1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane

• ChemBase编号: 93157
• 分子式: C5F11IO
• 平均质量: 411.9398052
• 单一同位素质量: 411.88182304
• SMILES: O(C(C(F)(F)F)(C(F)(F)F)F)C(F)(F)C(I)(F)F
• Canonical SMILES: FC(C(F)(F)F)(C(F)(F)F)OC(C(I)(F)F)(F)F
• InChI: InChI=1S/C5F11IO/c6-1(2(7,8)9,3(10,11)12)18-5(15,16)4(13,14)17
• InChIKey: ZTRORDXSFFFPOW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
• IUPAC传统名: 1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
• 别名: Heptafluoroisopropyl 2-iodotetrafluoroethyl ether; 2-Iodotetrafluoroethyl heptafluoroisopropyl ether

登记号

• MDL号: MFCD01320700
• PubChem SID: 162079842
• PubChem CID: 2775186

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.872
• LogD (pH = 7.4): 4.872
• Log P: 4.872
• 摩尔折射率: 42.6592 cm^3
• 极化性: 16.715124 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 88°C

安全信息

• 保存注意事项: Irritant