ChemSpider 2D Image | (-)-flutriafol | C16H13F2N3O

(-)-flutriafol

  • Molecular FormulaC16H13F2N3O
  • Average mass301.291 Da
  • Monoisotopic mass301.102661 Da
  • ChemSpider ID32796825

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(-)-flutriafol
(1R)-1-(2-Fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol [ACD/IUPAC Name]
(1R)-1-(2-Fluorophényl)-1-(4-fluorophényl)-2-(1H-1,2,4-triazol-1-yl)éthanol [French] [ACD/IUPAC Name]
(1R)-1-(2-Fluorphenyl)-1-(4-fluorphenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, α-(2-fluorophenyl)-α-(4-fluorophenyl)-, (αR)- [ACD/Index Name]
586965-69-7 [RN]
(R)-(-)-flutriafol
(R)-flutriafol
76674-21-0 [RN]
flutriafol [BSI] [ISO]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

SYO85A897P [DBID]
UNII:SYO85A897P [DBID]
UNII-SYO85A897P [DBID]
  • Miscellaneous

    • Chemical Class:

      A 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1<element>H</element>-1,2,4-triazol-1-yl)ethanol that has <stereo>R</stereo> configuration. ChEBI CHEBI:83708
      A 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol that has R configuration. ChEBI CHEBI:83708

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 506.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 260.1±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.31
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.06
ACD/KOC (pH 5.5): 378.19
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 28.15
ACD/KOC (pH 7.4): 379.44
Polar Surface Area: 51 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 233.3±7.0 cm3

Click to predict properties on the Chemicalize site


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