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Updated: Jan 30, 2026

A New Straightforward Method for Lipophilicity logP Measurement using 19F NMR Spectroscopy
Published on: January 30, 2019
Efficient log P determination by automated, spatially encoded 19F NMR spectroscopy
Susanna H Wood1, Fiona Gordon1, Robin S Stein2
1Department of Pure and Applied Chemistry, University of Strathclyde Thomas Graham Building, 295 Cathedral Street Glasgow G1 1XL UK susanna.h.wood@strath.ac.uk.
Abstract:
We report a straightforward method for direct determination of log P by slice-selective 19F NMR spectroscopy utilising a single NMR sample. Our technique uses a partitioned NMR sample of n-octanol/water containing the compound of interest, a modern NMR spectrometer equipped with 19F-observation and Z-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 P 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 P determination are highlighted.
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