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

• ChemBase编号: 99219
• 分子式: C6H3Br2F9O
• 平均质量: 421.8810488
• 单一同位素质量: 419.8406927
• SMILES: O(CC(F)(C(F)F)F)C(C(C(F)(F)F)(Br)F)(Br)F
• Canonical SMILES: FC(C(COC(C(C(F)(F)F)(Br)F)(Br)F)(F)F)F
• InChI: InChI=1S/C6H3Br2F9O/c7-4(13,6(15,16)17)5(8,14)18-1-3(11,12)2(9)10/h2H,1H2
• InChIKey: IQOBRELAYPOQIZ-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-tetrafluoropropoxy)propane
• IUPAC传统名: 1,2-dibromo-1,2,3,3,3-pentafluoro-1-(2,2,3,3-tetrafluoropropoxy)propane
• 别名: 2,3-Dibromo-4-oxa-5H,5H,7H-nonafluoroheptane; 1,2-Dibromopentafluoropropyl 2,2,3,3-tetrafluoropropyl ether

登记号

• MDL号: MFCD03094408
• PubChem SID: 162085507
• PubChem CID: 2778644

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.244663
• LogD (pH = 7.4): 4.244663
• Log P: 4.244663
• 摩尔折射率: 48.3025 cm^3
• 极化性: 18.961992 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