1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane

• ChemBase编号: 97054
• 分子式: C5H2Br2F8O
• 平均质量: 389.8640056
• 单一同位素质量: 387.83446444
• SMILES: O(CC(F)(F)F)C(C(C(F)(F)F)(Br)F)(Br)F
• Canonical SMILES: FC(COC(C(C(F)(F)F)(Br)F)(Br)F)(F)F
• InChI: InChI=1S/C5H2Br2F8O/c6-3(11,5(13,14)15)4(7,12)16-1-2(8,9)10/h1H2
• InChIKey: VUXWJSADJYWRST-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
• IUPAC传统名: 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,2-trifluoroethoxy)propane
• 别名: 2,3-Dibromo-4-oxa-5H,5H-octafluorohexane; 1,2-Dibromopentafluoropropyl 2,2,2-trifluoroethyl ether

登记号

• MDL号: MFCD03094229
• PubChem SID: 162083681
• PubChem CID: 2778295

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.125681
• LogD (pH = 7.4): 4.125681
• Log P: 4.125681
• 摩尔折射率: 44.5242 cm^3
• 极化性: 17.212412 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant