6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate

• ChemBase编号: 99545
• 分子式: C14H13F13O2
• 平均质量: 460.2310616
• 单一同位素质量: 460.07079652
• SMILES: FC(C(C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)(F)F)(CCCCCOC(=O)C=C)F
• Canonical SMILES: C=CC(=O)OCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14H13F13O2/c1-2-8(28)29-7-5-3-4-6-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2H,1,3-7H2
• InChIKey: WTZIOPYUTZFTHJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate
• IUPAC传统名: 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate
• 别名: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecyl acrylate; 1H,1H,2H,2H,3H,3H,4H,4H,5H,5H-Perfluoroundecyl acrylate

登记号

• MDL号: MFCD09749660
• PubChem SID: 162085808
• PubChem CID: 44717649

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 6.608243
• LogD (pH = 7.4): 6.608243
• Log P: 6.608243
• 摩尔折射率: 69.673 cm^3
• 极化性: 26.114418 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 13
• 里宾斯基五规则: false