2,2,3,3-tetrafluoro-4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate

• ChemBase编号: 93161
• 分子式: C12H14F4O4
• 平均质量: 298.2307728
• 单一同位素质量: 298.08282181
• SMILES: O(C(=O)C(=C)C)CC(F)(F)C(F)(F)COC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCC(C(COC(=O)C(=C)C)(F)F)(F)F
• InChI: InChI=1S/C12H14F4O4/c1-7(2)9(17)19-5-11(13,14)12(15,16)6-20-10(18)8(3)4/h1,3,5-6H2,2,4H3
• InChIKey: LYRDRWXENYEQNR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3-tetrafluoro-4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate
• IUPAC传统名: 2,2,3,3-tetrafluoro-4-[(2-methylprop-2-enoyl)oxy]butyl 2-methylprop-2-enoate
• 别名: 2,2,3,3-Tetrafluorobutane-1,4-dimethacrylate

登记号

• MDL号: MFCD00080742
• PubChem SID: 162079846
• PubChem CID: 2776615

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.8452108
• LogD (pH = 7.4): 3.8452108
• Log P: 3.8452108
• 摩尔折射率: 60.2022 cm^3
• 极化性: 23.277029 Å^3
• 极化表面积: 52.6 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Flammable/Keep Cold