Chemical Properties of Diflufenican (CAS 83164-33-4)

InChI

InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)

InChI Key

WYEHFWKAOXOVJD-UHFFFAOYSA-N

Formula

C19H11F5N2O2

SMILES

O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1

Molecular Weight¹

394.29

CAS

83164-33-4

Other Names

• 3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-
• Diflufenicam
• N-(2,4-difluorophenyl)-2-(3-(trifluoromethyl)phenoxy)nicotinamide
• N-(2,4-difluorophenyl)-2-[3-(trifluoro-methyl)phenoxyl]-3-pyridine carboxamide
• N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-6.90		Aq. Solubility Prediction
logPoct/wat	5.423		Crippen Calculated Property
McVol	243.540	ml/mol	McGowan Calculated Property
Inp	[2396.00; 2397.00]
Inp	2397.00		NIST
Inp	2396.00		NIST
Inp	2397.00		NIST
Tfus	435.52	K	Solubility of Diflufenican in Pure and Binary Solvent Systems

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Diflufenican.

Mixtures

• Ethanol + Diflufenican
• Diflufenican + Ethyl Acetate
• Diflufenican + Acetone
• Toluene + Diflufenican
• Diflufenican + Cyclohexane
• Benzene + Diflufenican
• Diflufenican + Methyl Alcohol
• 2-Propanol + Diflufenican
• Diflufenican + Acetone + Water
• Ethanol + Diflufenican + Acetone

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Solubility of Diflufenican in Pure and Binary Solvent Systems
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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