2-(N-ethylheptadecafluorooctanesulfonamido)ethyl 2-methylprop-2-enoate

• ChemBase编号: 93253
• 分子式: C16H14F17NO4S
• 平均质量: 639.3245144
• 单一同位素质量: 639.03720867
• SMILES: S(=O)(=O)(C(C(C(F)(F)C(F)(F)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N(CCOC(=O)C(=C)C)CC
• Canonical SMILES: CCN(S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCOC(=O)C(=C)C
• InChI: InChI=1S/C16H14F17NO4S/c1-4-34(5-6-38-8(35)7(2)3)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h2,4-6H2,1,3H3
• InChIKey: DBCGADAHIXJHCE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(N-ethylheptadecafluorooctanesulfonamido)ethyl 2-methylprop-2-enoate
• IUPAC传统名: 2-(N-ethylheptadecafluorooctanesulfonamido)ethyl 2-methylprop-2-enoate
• 别名: 2-[Ethyl(perfluorooct-1-yl)sulphonamido]ethyl methacrylate; 2-{Ethyl[(heptadecafluorooct-1-yl)sulphonyl]amino}ethyl 2-methylprop-2-enoate; 2-{Ethyl[(heptadecafluorooct-1-yl)sulphonyl]amino}ethyl methacrylate

登记号

• CAS号: 376-14-7
• MDL号: MFCD00080738
• PubChem SID: 162079938
• PubChem CID: 67823

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 6.7953124
• LogD (pH = 7.4): 6.7953124
• Log P: 6.7953124
• 摩尔折射率: 91.5049 cm^3
• 极化性: 35.338478 Å^3
• 极化表面积: 63.68 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 48-55°C
• 沸点: 138-139°C
• 闪点: >110°C

安全信息

• 保存注意事项: Irritant/Keep Cold