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Analysis of Fluorinated Compounds by 13C NMR: Addressing Difficulties and Providing Solutions

October 31, 2018

In modern organic and medicinal chemistry, fluorine is used to enhance the chemical properties of molecules in many desirable ways. When substituted for hydrogen, the increased stability of the C-F bond can delay the metabolism of the molecule and forbid peroxide formation. As well, its heightened lipophilicity has a direct positive effect on the molecule's bioavailability [1]. Consequently, it is estimated that more than 20% of commercial pharmaceutical APIs, 30% of the top 15 prescribed pharmaceuticals, and 30% of agrochemicals contain at least one fluorine atom [2,3].

A challenge in the development of fluorine chemistry is the potential difficulty of interpreting 13C NMR spectra of fluorinated organic compounds. This is because 13C spectra are commonly recorded using only 1H broadband decoupling and the 13C-19F couplings are quite large and still present.

Join us for this 40 minute webinar to see the most efficient analysis methods for interpreting 13C NMR spectra of fluorinated compounds. We will be showing how the ACD/Labs software tools can help you achieve this.

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Intended Audience

  • Synthetic/Medicinal Chemists
  • NMR Spectroscopists
  • Students and post-doctoral researchers

Learning Objectives

In this webinar you will learn:

  • The challenges of using NMR to analyze fluorinated compounds
  • How to increase confidence in your analysis using basic NMR processing software
  • How ACD/Labs industry standard NMR Predictors can help with your analysis
  • How the new “Structure Aware” analysis tool can automatically remove inaccuracies from your C-F multiplet analysis


  1. Hagmann, William, K. “The Many Roles of Fluorine in Medicinal Chemistry” Journal of Medicinal Chemistry, 2008, 51, 4359-4369.
  2. Emsley, John, “Nature's building blocks: An A–Z guide to the elements (2nd ed.)”, Oxford University Press, 2011, p. 178.
  3. Swinson, Joel, "Fluorine – A vital element in the medicine chest", PharmaChem. Pharmaceutical Chemistry: 2005, 26–27.