2-bromo-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane

• ChemBase编号: 94179
• 分子式: C6BrF13
• 平均质量: 398.9474416
• 单一同位素质量: 397.89757886
• SMILES: FC(C(C(F)(F)C(C(F)(F)F)(F)F)(C(F)(F)F)Br)(F)F
• Canonical SMILES: FC(C(C(C(C(F)(F)F)(C(F)(F)F)Br)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6BrF13/c7-1(4(12,13)14,5(15,16)17)2(8,9)3(10,11)6(18,19)20
• InChIKey: LMULIUNHVQIBGA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
• IUPAC传统名: 2-bromo-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
• 别名: 2-Bromoperfluoro(2-methylpentane); 2-Bromo-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane 97%

登记号

• CAS号: 22528-67-2
• MDL号: MFCD00077551
• PubChem SID: 162080834
• PubChem CID: 2736247

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.27162
• LogD (pH = 7.4): 5.27162
• Log P: 5.27162
• 摩尔折射率: 39.5419 cm^3
• 极化性: 15.5145645 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 99-101°C

安全信息

• 保存注意事项: Irritant