2-chloro-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene

• ChemBase编号: 97392
• 分子式: C6H2ClF9
• 平均质量: 280.5187088
• 单一同位素质量: 279.97013172
• SMILES: FC(C(F)(F)C(C(=C)Cl)(F)C(F)(F)F)(F)F
• Canonical SMILES: ClC(=C)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C6H2ClF9/c1-2(7)3(8,5(11,12)13)4(9,10)6(14,15)16/h1H2
• InChIKey: IXGYNVBCCZVDNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
• IUPAC传统名: 2-chloro-3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pent-1-ene
• 别名: 2-Chloro-3,4,4,5,5,5-hexafluoro-3-trifluoromethylpent-1-ene

登记号

• MDL号: MFCD00155675
• PubChem SID: 162084001
• PubChem CID: 2782471

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9348986
• LogD (pH = 7.4): 3.9348986
• Log P: 3.9348986
• 摩尔折射率: 35.5761 cm^3
• 极化性: 13.279378 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