1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethyl)cyclopent-1-ene

• ChemBase编号: 93537
• 分子式: C6F10
• 平均质量: 262.048232
• 单一同位素质量: 261.9840322
• SMILES: FC1=C(C(F)(F)C(C1(F)F)(F)F)C(F)(F)F
• Canonical SMILES: FC1=C(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F10/c7-2-1(5(12,13)14)3(8,9)6(15,16)4(2,10)11
• InChIKey: FWJJAIJDVAMNAI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethyl)cyclopent-1-ene
• IUPAC传统名: 1,3,3,4,4,5,5-heptafluoro-2-(trifluoromethyl)cyclopent-1-ene
• 别名: Heptafluoro-1-(trifluoromethyl)cyclopent-1-ene

登记号

• CAS号: 780-87-0
• MDL号: MFCD00155846
• PubChem SID: 162080222
• PubChem CID: 2774954

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.0123525
• LogD (pH = 7.4): 3.0123525
• Log P: 3.0123525
• 摩尔折射率: 29.6649 cm^3
• 极化性: 10.901898 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant