Efficient log  <i>P</i> determination by automated, spatially encoded ¹⁹ F NMR spectroscopy

We report a straightforward method for direct determination of log <i>P</i> by slice-selective ¹⁹F NMR spectroscopy utilising a single NMR sample. Our technique uses a partitioned NMR sample of <i>n</i>-octanol/water containing the compound of interest, a modern NMR spectrometer equipped with ¹⁹F-observation and <i>Z</i>-axis pulsed-field gradient capabilities in addition to automation programs to measure solute distribution between solvent layers. The approach is validated using a range of fluorinated compounds with known experimental log <i>P</i> values. Details of our experimental method development and implementation processes are reported in supporting data and the benefits of using this approach for experimental log <i>P</i> determination are highlighted.