Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction

Daniela Rodrigues Silva, Joyce K. Daré and Matheus P. Freitas
Beilstein J. Org. Chem. 2020, 16, 2469–2476. https://doi.org/10.3762/bjoc.16.200

Supporting Information

Supporting Information File 1: Additional linear correlation, main conformers from the Monte Carlo conformational search, Cartesian coordinates and energies of the conformers of agrochemicals IVII and compounds 111 analyzed herein.
Format: PDF Size: 740.7 KB Download

Cite the Following Article

Conformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction
Daniela Rodrigues Silva, Joyce K. Daré and Matheus P. Freitas
Beilstein J. Org. Chem. 2020, 16, 2469–2476. https://doi.org/10.3762/bjoc.16.200

How to Cite

Silva, D. R.; Daré, J. K.; Freitas, M. P. Beilstein J. Org. Chem. 2020, 16, 2469–2476. doi:10.3762/bjoc.16.200

Download Citation

Citation data can be downloaded as file using the "Download" button or used for copy/paste from the text window below.
Citation data in RIS format can be imported by all major citation management software, including EndNote, ProCite, RefWorks, and Zotero.

Presentation Graphic

Picture with graphical abstract, title and authors for social media postings and presentations.
Format: PNG Size: 9.2 MB Download

Citations to This Article

Up to 20 of the most recent references are displayed here.

Scholarly Works

  • Dou, H.; Hu, Y.; Gao, Y.; Sun, F. Design, synthesis and properties of trifluoromethyl polysiloxane oxetane monomers. European Polymer Journal 2023, 183, 111756. doi:10.1016/j.eurpolymj.2022.111756
  • Pazenok, S.; Bernier, D.; Donnard, M.; Hanquet, G.; Panossian, A.; Leroux, F. R. doi:10.1002/9780470682531.pat1013
  • Artem'eva, E. V.; Duffin, R. N.; Munuganti, S.; Efremov, A. N.; Andrews, P. C.; Sharutina, O. K.; Sharutin, V. V. Investigations into a change of aryl group on the cytotoxicity and anti-leishmanial activity of a series of tris-aryl Sb(V) pentafluoropropionates. Polyhedron 2022, 213, 115627. doi:10.1016/j.poly.2021.115627
  • Saranya, P. V.; Aneeja, T.; Anilkumar, G. Palladium-catalyzed difluoromethylation and difluoroalkylation reactions: An overview. Applied Organometallic Chemistry 2021, 36. doi:10.1002/aoc.6503
  • Martins, F. A.; Freitas, M. P. An examination of the relationship between molecular dipole moment and blood-gas partition for common anaesthetic gases. Organic & biomolecular chemistry 2021, 19, 6665–6670. doi:10.1039/d1ob01067k
  • Richardson, P. G. Applications of fluorine to the construction of bioisosteric elements for the purposes of novel drug discovery. Expert opinion on drug discovery 2021, 16, 1261–1286. doi:10.1080/17460441.2021.1933427
  • Zafrani, Y.; Parvari, G.; Amir, D.; Ghindes-Azaria, L.; Elias, S.; Pevzner, A.; Fridkin, G.; Berliner, A.; Gershonov, E.; Eichen, Y.; Saphier, S.; Katalan, S. Modulation of the H-Bond Basicity of Functional Groups by α-Fluorine-Containing Functions and its Implications for Lipophilicity and Bioisosterism. Journal of medicinal chemistry 2021, 64, 4516–4531. doi:10.1021/acs.jmedchem.0c01868
  • Al-Otaibi, J. S.; Almuqrin, A. H.; Mary, Y. S.; Mary, Y. S.; Thomas, R. Modeling the Conformational Preference, Spectral Analysis and Other Quantum Mechanical Studies on Three Bioactive Aminobenzoate Derivatives and Their SERS Active Graphene Complexes. Polycyclic Aromatic Compounds 2020, 1–11.
Other Beilstein-Institut Open Science Activities