2,4-dibromo-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane

• ChemBase编号: 93536
• 分子式: C5H2Br2F8
• 平均质量: 373.8646056
• 单一同位素质量: 371.83954982
• SMILES: FC(F)(CC(C(F)(F)F)(C(F)(F)F)Br)Br
• Canonical SMILES: FC(CC(C(F)(F)F)(C(F)(F)F)Br)(Br)F
• InChI: InChI=1S/C5H2Br2F8/c6-2(4(10,11)12,5(13,14)15)1-3(7,8)9/h1H2
• InChIKey: HWOPXXXEAPFMBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,4-dibromo-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
• IUPAC传统名: 2,4-dibromo-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane
• 别名: 2,4-Dibromo-1,1,1,4,4-pentafluoro-2-(trifluoromethyl)butane 95%

登记号

• MDL号: MFCD07784194
• PubChem SID: 162080221
• PubChem CID: 44717169

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.9738805
• LogD (pH = 7.4): 3.9738805
• Log P: 3.9738805
• 摩尔折射率: 42.301 cm^3
• 极化性: 16.371065 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