3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)-1-iodobut-1-ene

• ChemBase编号: 93583
• 分子式: C7H2F11IO
• 平均质量: 437.9770852
• 单一同位素质量: 437.8974731
• SMILES: O(C(C(F)(C(F)(F)F)F)(F)F)C(/C=C/I)(F)C(F)(F)F
• Canonical SMILES: I/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C7H2F11IO/c8-3(1-2-19,5(11,12)13)20-7(17,18)4(9,10)6(14,15)16/h1-2H
• InChIKey: PXYZPNZRASQXPV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)-1-iodobut-1-ene
• IUPAC传统名: 3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)-1-iodobut-1-ene
• 别名: 3-Heptafluoropropoxy-1-iodo-3,4,4,4-tetrafluorobut-1-ene

登记号

• MDL号: MFCD09998046
• PubChem SID: 162080268
• PubChem CID: 5709618

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 5.5105796
• LogD (pH = 7.4): 5.5105796
• Log P: 5.5105796
• 摩尔折射率: 51.5178 cm^3
• 极化性: 19.621323 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant/Light Sensitive