Chemical Properties of Flutriafol

InChI

InChI=1S/C16H13F2N3O/c17-13-7-5-12(6-8-13)16(22,9-21-11-19-10-20-21)14-3-1-2-4-15(14)18/h1-8,10-11,22H,9H2

InChI Key

JWUCHKBSVLQQCO-UHFFFAOYSA-N

Formula

C16H13F2N3O

SMILES

OC(Cn1cncn1)(c1ccc(F)cc1)c1ccccc1F

Molecular Weight¹

301.30

Other Names

• (±)-a-(2-fluorophenyl)-a-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol
• .alpha.-(2-fluorophenyl)-.alpha.-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol
• 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
• 1H-1,2,4-Triazole-1-ethanol, «alpha»-(2-fluorophenyl)-«alpha»-(4-fluorophenyl)-
• Impact
• PP 450
• R 152450
• «alpha»-(2-Fluorophenyl)-«alpha»-(4-fluorophenyl)-1H-1,2,4-triazole-1-ethanol

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-3.37; -3.37]
log10WS	-3.37		Aq. Solubility Prediction
log10WS	-3.37		Estimated Solubility
logPoct/wat	2.492		Crippen Calculated Property
McVol	208.670	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 Flutriafol.

Mixtures

• Flutriafol + Norflurane

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
• Measurement and Correlation of the Solubilities of Azoxystrobin, Flutriafol, and Tebuconazole in Subcritical 1,1,1,2-Tetrafluoroethane
• Aqueous Solubility Prediction Method
• Estimated Solubility 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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