1-(12,12,12-trifluorododecyl)cyclohexanol | 188560-98-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(12,12,12-trifluorododecyl)cyclohexanol
• 英文别名: 1-(12,12,12-trifluorododecyl)cyclohexan-1-ol
• CAS: 188560-98-7
• 化学式: C₁₈H₃₃F₃O
• 分子量: 322.455
• InChiKey: XNGKIKAJDUQVLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.54
• 重原子数：
  22.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-(12,12,12-trifluorododecyl)cyclohexanol 在 chromium(VI) oxide 、 盐酸 、 sodium hydroxide 、 溶剂黄146 、 mercury dichloride 、 锌 作用下， 以 甲苯 为溶剂， 反应 33.0h， 生成 12,12,12-三氟十二烷酸
  参考文献：
  名称：

  Dissociative and Reactive Hyperthermal Ion−Surface Collisions with Langmuir−Blodgett Films Terminated by CF₃(CH₂)_n−, n-Perfluoroalkyl, or n-Alkyl Groups

  摘要：

  Langmuir-Blodgett (L-B) films prepared from 18,18,18-trifluorooctadecanoic acid [CF3(CH2)(16)-COOH], perfluorotetradecanoic acid [n-C13F27COOH], or octadecanoic acid [n-C17H35COOH] were used as target surfaces for hyperthermal ion-surface collisions. The synthesis of 18,18,18-trifluorooctadecanoic acid and the preparation of the L-B film from this compound using a subphase containing Al3+ are reported in this paper. The Ion-surface collision results show that the outermost surface group, namely CF3 vs CH3, is the main determinant for the efficiency of both energy transfer and electron transfer during low-energy(e.g., 10-100 eV) polyatomic ion-surface collisions. For atomic projectile ions, there is evidence of penetration into a depth of the films.

  DOI：

  10.1021/ja990719a
• 作为产物：
  描述：

  12,12,12-三氟十二烷酸甲酯 在 lithium aluminium tetrahydride 、 硫酸 、 氢溴酸 、 lithium 作用下， 以 乙醚 为溶剂， 反应 11.0h， 生成 1-(12,12,12-trifluorododecyl)cyclohexanol
  参考文献：
  名称：

  Dissociative and Reactive Hyperthermal Ion−Surface Collisions with Langmuir−Blodgett Films Terminated by CF₃(CH₂)_n−, n-Perfluoroalkyl, or n-Alkyl Groups

  摘要：

  Langmuir-Blodgett (L-B) films prepared from 18,18,18-trifluorooctadecanoic acid [CF3(CH2)(16)-COOH], perfluorotetradecanoic acid [n-C13F27COOH], or octadecanoic acid [n-C17H35COOH] were used as target surfaces for hyperthermal ion-surface collisions. The synthesis of 18,18,18-trifluorooctadecanoic acid and the preparation of the L-B film from this compound using a subphase containing Al3+ are reported in this paper. The Ion-surface collision results show that the outermost surface group, namely CF3 vs CH3, is the main determinant for the efficiency of both energy transfer and electron transfer during low-energy(e.g., 10-100 eV) polyatomic ion-surface collisions. For atomic projectile ions, there is evidence of penetration into a depth of the films.

  DOI：

  10.1021/ja990719a