1-ethenyl-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane

• ChemBase编号: 98336
• 分子式: C8H3F11
• 平均质量: 308.0918552
• 单一同位素质量: 308.00591052
• SMILES: FC1(C(C(F)(F)C(C1(C=C)C(F)(F)F)(F)F)(F)F)F
• Canonical SMILES: C=CC1(C(F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H3F11/c1-2-3(8(17,18)19)4(9,10)6(13,14)7(15,16)5(3,11)12/h2H,1H2
• InChIKey: COZOZCOENNNSGO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethenyl-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane
• IUPAC传统名: 1-ethenyl-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane
• 别名: Octafluoro-1-(trifluoromethyl)-1-vinylcyclopentane 97%

登记号

• MDL号: MFCD00155906
• PubChem SID: 162084780
• PubChem CID: 2775896

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.3392134
• LogD (pH = 7.4): 4.3392134
• Log P: 4.3392134
• 摩尔折射率: 37.8743 cm^3
• 极化性: 14.237185 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant