(undecafluorocyclohexyl)methyl 2-methylprop-2-enoate

• ChemBase编号: 93052
• 分子式: C11H7F11O2
• 平均质量: 380.1545152
• 单一同位素质量: 380.02703988
• SMILES: FC1(C(C(F)(F)C(C(C1(COC(=O)C(=C)C)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: O=C(C(=C)C)OCC1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H7F11O2/c1-4(2)5(23)24-3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h1,3H2,2H3
• InChIKey: DZZAHYHMWKNGLC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
• IUPAC传统名: (undecafluorocyclohexyl)methyl 2-methylprop-2-enoate
• 别名: (Perfluorocyclohexyl)methyl methacrylate

登记号

• MDL号: MFCD00080615
• PubChem SID: 162079750
• PubChem CID: 2776050

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.8239393
• LogD (pH = 7.4): 4.8239393
• Log P: 4.8239393
• 摩尔折射率: 51.9486 cm^3
• 极化性: 20.2879 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 4
• 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