4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

• ChemBase编号: 97100
• 分子式: C6F8O4
• 平均质量: 288.0490256
• 单一同位素质量: 287.96688424
• SMILES: O1C(=O)C(OC1(C(=O)F)C(F)(F)F)(F)C(F)(F)F
• Canonical SMILES: FC(=O)C1(OC(=O)C(O1)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11
• InChIKey: NVLMRLQANVCTOG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
• IUPAC传统名: 4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
• 别名: Perfluoro[2,5-dimethyl-2-fluorocarbonyl-4-oxo-1,3-dioxolane]; 2,4-Bis(trifluoromethyl)-4-fluoro-5-oxo-1,3-dioxolane-2-carbonyl fluoride

登记号

• MDL号: MFCD07784273
• PubChem SID: 162083722
• PubChem CID: 110969

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.0101738
• LogD (pH = 7.4): 3.0101738
• Log P: 3.0101738
• 摩尔折射率: 33.0077 cm^3
• 极化性: 13.150002 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Corrosive