2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,31,31,32,32,33,33,33-pentatriacontafluoro-2,5,8,11,14,17,20,23,26,29-decakis(trifluoromethyl)-3,6,9,12,15,18,21,24,27,30-decaoxatritriacontanoyl fluoride | 34798-10-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 酰卤
• 英文名称: 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,31,31,32,32,33,33,33-pentatriacontafluoro-2,5,8,11,14,17,20,23,26,29-decakis(trifluoromethyl)-3,6,9,12,15,18,21,24,27,30-decaoxatritriacontanoyl fluoride
• CAS: 34798-10-2
• 化学式: C₃₃F₆₆O₁₁
• 分子量: 1826.25
• InChiKey: CPOLRRJWOWXPMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  20.06
• 重原子数：
  110.0
• 可旋转键数：
  31.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  109.37
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,31,31,32,32,33,33,33-pentatriacontafluoro-2,5,8,11,14,17,20,23,26,29-decakis(trifluoromethyl)-3,6,9,12,15,18,21,24,27,30-decaoxatritriacontanoyl fluoride 、 丙酮 在 sodium fluoride 作用下， 以23%的产率得到5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,31,31,32,34,34,35,35,36,36,36-pentatriacontafluoro-5,8,11,14,17,20,23,26,29,32-decakis(trifluoromethyl)-6,9,12,15,18,21,24,27,30,33-decaoxahexatriacontane-2,4-dione
  参考文献：
  名称：

  Cyclocondensation of unsymmetrical perfluoroalkyl-substituted β-diketones with urea, thiourea, and guanidine

  摘要：

  The reactions of unsymmetrical perfluoroalkyl-substituted beta-diketones with guanidine, urea, and thiourea gave the corresponding 2-amino-, 2-hydroxy-, and 2-sulfanyl-6-perfluoroalkyl-4-methylpyrimidines.

  DOI：

  10.1134/s1070428008040039