Atropisomerism becomes a popular structural feature in modern drug discovery. Using N-phenyl γ-lactam and phenyl-pyrazolone scaffolds, we showed that distinct ¹⁹F NMR peaks were present in atropisomers and dual signals emerged for covalently identical fluorine nuclei in hindered rotamers. Factors affecting ¹⁹F NMR chemical shifts in these molecules were discussed. We demonstrated that ¹⁹F NMR spectroscopy can be used to differentiate and detect atropisomers and rotamers in conformationally restricted molecules.

中文翻译：

---

¹⁹ F NMR光谱作为检测氟取代苯基化合物旋转的工具

阻转异构现象成为现代药物发现中流行的结构特征。使用N-苯基γ-内酰胺和苯基-吡唑啉酮支架，我们发现阻转异构体中存在截然不同的¹⁹ F NMR峰，并出现了共价相同氟原子核的双重信号。讨论了影响这些分子中¹⁹ F NMR化学位移的因素。我们证明了¹⁹ F NMR光谱可用于区分和检测构象受限分子中的阻转异构体和旋转异构体。