methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoate

• ChemBase编号: 9482
• 分子式: C15H3F27O2
• 平均质量: 728.1400064
• 单一同位素质量: 727.97019128
• SMILES: C(C(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
• Canonical SMILES: COC(=O)C(C(C(C(C(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)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C15H3F27O2/c1-44-2(43)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)42/h1H3
• InChIKey: DRRCLKOIEBNFIE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoate
• IUPAC传统名: methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoate
• 别名: 全氟十四烷酸甲酯; Methyl perfluorotetradecanoate; Perfluorodecanoic acid methyl ester; Methyl perfluorotetradecanoate; Methyl perfluorotetradecanoate 96%

登记号

• CAS号: 203302-99-2
• MDL号: MFCD00236620
• PubChem SID: 160972789
• PubChem CID: 2769340

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 9.462589
• LogD (pH = 7.4): 9.462589
• Log P: 9.462589
• 摩尔折射率: 74.439 cm^3
• 极化性: 29.937214 Å^3
• 极化表面积: 26.3 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: 95-98°C; 95-98°C

安全信息

• 保存注意事项: Flammable; IRRITANT
• TSCA收录: false; 否

产品相关信息

• 纯度: 96%