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

• ChemBase编号: 99966
• 分子式: C8H4BrF11
• 平均质量: 389.0037952
• 单一同位素质量: 387.93207255
• SMILES: FC1(C(C(F)(F)C(C1(F)F)(C(F)(F)F)CCBr)(F)F)F
• Canonical SMILES: BrCCC1(C(F)(F)F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C8H4BrF11/c9-2-1-3(8(18,19)20)4(10,11)6(14,15)7(16,17)5(3,12)13/h1-2H2
• InChIKey: YKVUESIULZNJPI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(2-bromoethyl)-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane
• IUPAC传统名: 1-(2-bromoethyl)-2,2,3,3,4,4,5,5-octafluoro-1-(trifluoromethyl)cyclopentane
• 别名: 1-(2-Bromoethyl)-1-(trifluoromethyl)-octafluorocyclopentane

登记号

• MDL号: MFCD00153698
• PubChem SID: 162086212
• PubChem CID: 542754

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.74661
• LogD (pH = 7.4): 4.74661
• Log P: 4.74661
• 摩尔折射率: 45.7934 cm^3
• 极化性: 17.750887 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant