4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene

• ChemBase编号: 97588
• 分子式: C7H5F9
• 平均质量: 260.1002288
• 单一同位素质量: 260.02475414
• SMILES: FC(F)(C(/C=C/C)(C(C(F)(F)F)(F)F)F)F
• Canonical SMILES: C/C=C/C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C7H5F9/c1-2-3-4(8,6(11,12)13)5(9,10)7(14,15)16/h2-3H,1H3
• InChIKey: SNFOQVRVBOHYAF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
• IUPAC传统名: 4,5,5,6,6,6-hexafluoro-4-(trifluoromethyl)hex-2-ene
• 别名: 4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hex-2-ene 97%

登记号

• MDL号: MFCD00155861
• PubChem SID: 162084186
• PubChem CID: 5372631

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.0847707
• LogD (pH = 7.4): 4.0847707
• Log P: 4.0847707
• 摩尔折射率: 36.5334 cm^3
• 极化性: 12.936366 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant