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

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorSilva, Daniela Rodrigues-
Autor(es): dc.creatorDaré, Joyce K.-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T12:07:52Z-
Data de disponibilização: dc.date.available2026-02-09T12:07:52Z-
Data de envio: dc.date.issued2021-11-23-
Data de envio: dc.date.issued2021-11-23-
Data de envio: dc.date.issued2020-10-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/48540-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1154967-
Descrição: dc.descriptionMolecular polarity governs lipophilicity, which in turn determines important agrochemical and environmental properties, such as soil sorption and bioconcentration of organic compounds. Since the C–F bond is the most polar in organic chemistry, the orientation of fluorine substituents originating from the rotation around C–C(F) bonds should affect the polarity and, consequently, the physicochemical and biological properties of fluorine-containing agrochemicals. Accordingly, this study aims to determine the most likely conformers of some fluorine-containing agrochemicals and to correlate their molecular dipole moments with the respective n-octanol/water partition coefficients (log P), in order to investigate the dependence of the lipophilicity with the molecular conformation.-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Publicador: dc.publisherBeilstein-Institut-
Direitos: dc.rightsacesso aberto-
Direitos: dc.rightshttp://creativecommons.org/licenses/by/4.0/-
Direitos: dc.rightshttp://creativecommons.org/licenses/by/4.0/-
???dc.source???: dc.sourceBeilstein Journal of Organic Chemistry-
Palavras-chave: dc.subjectDipole moment-
Palavras-chave: dc.subjectFluorinated compounds-
Palavras-chave: dc.subjectGauche effect-
Palavras-chave: dc.subjectHerbicides-
Palavras-chave: dc.subjectLog P-
Palavras-chave: dc.subjectDefensivos agrícolas-
Palavras-chave: dc.subjectMomento dipolar-
Palavras-chave: dc.subjectCompostos fluorados-
Palavras-chave: dc.subjectEfeito Gauche-
Palavras-chave: dc.subjectHerbicidas-
Título: dc.titleConformational preferences of fluorine-containing agrochemicals and their implications for lipophilicity prediction-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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