2-fluoroallyl heptanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-fluoroallyl heptanoate
• 英文别名: 2-Fluoroprop-2-enyl heptanoate
• 化学式: C₁₀H₁₇FO₂
• 分子量: 188.242
• InChiKey: ADXRARZFIJKBMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  13
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-氟烯丙醇 、 庚酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 以69%的产率得到2-fluoroallyl heptanoate
  参考文献：
  名称：

  Odor–Structure Relationships Using Fluorine as a Probe

  摘要：

  Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00351-3

文献信息

• Odor–Structure Relationships Using Fluorine as a Probe
  作者：Dominique Michel、Manfred Schlosser

  DOI：10.1016/s0040-4020(00)00351-3

  日期：2000.6

  Eight ethers, nine esters and one ketone were submitted to a systematic structural variation by replacing a hydrogen atom in the vicinity of the oxofunction by fluorine and methyl. As long as steric factors dominate, a fluorine substituent alters the olfactory properties of the parent compound much less than a methyl substituent does. However, if it occupies a position adjacent to a carbonyl group the halogen may more profoundly affect the odor perception, presumably as a consequence of conformational changes. (C) 2000 Elsevier Science Ltd. All rights reserved.