1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)oct-3-ene

• ChemBase编号: 99021
• 分子式: C11H11F11O
• 平均质量: 368.1868752
• 单一同位素质量: 368.06342539
• SMILES: O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(/C=C/CCCC)F
• Canonical SMILES: CCCC/C=C/C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C11H11F11O/c1-2-3-4-5-6-7(12,9(15,16)17)23-11(21,22)8(13,14)10(18,19)20/h5-6H,2-4H2,1H3
• InChIKey: VTQJUMDFJZMYAO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)oct-3-ene
• IUPAC传统名: 1,1,1,2-tetrafluoro-2-(heptafluoropropoxy)oct-3-ene
• 别名: 1,1,1,2-Tetrafluoro-2-(heptafluoropropoxy)oct-3-ene 97%

登记号

• MDL号: MFCD00155938
• PubChem SID: 162085323
• PubChem CID: 5708713

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.665528
• LogD (pH = 7.4): 6.665528
• Log P: 6.665528
• 摩尔折射率: 57.5416 cm^3
• 极化性: 20.621723 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant