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

• ChemBase编号: 94681
• 分子式: C6H2Br2F10O
• 平均质量: 439.871512
• 单一同位素质量: 437.83127088
• SMILES: O(C(C(C(F)(F)F)(Br)F)(Br)F)CC(C(F)(F)F)(F)F
• Canonical SMILES: FC(C(COC(C(C(F)(F)F)(Br)F)(Br)F)(F)F)(F)F
• InChI: InChI=1S/C6H2Br2F10O/c7-3(11,6(16,17)18)4(8,12)19-1-2(9,10)5(13,14)15/h1H2
• InChIKey: XLBTXLUOMWOOEO-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD03094147
• PubChem SID: 162081335
• PubChem CID: 2778205

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.889454
• LogD (pH = 7.4): 4.889454
• Log P: 4.889454
• 摩尔折射率: 49.1922 cm^3
• 极化性: 19.118048 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant