ChemSpider 2D Image | (4R)-5-Methyl-2-phenyl-4-(trifluoroacetyl)-2,4-dihydro-3H-pyrazol-3-one | C12H9F3N2O2

(4R)-5-Methyl-2-phenyl-4-(trifluoroacetyl)-2,4-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC12H9F3N2O2
  • Average mass270.207 Da
  • Monoisotopic mass270.061615 Da
  • ChemSpider ID114724759

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-5-Méthyl-2-phényl-4-(2,2,2-trifluoroacétyl)-2,4-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
(4R)-5-Methyl-2-phenyl-4-(trifluoracetyl)-2,4-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
(4R)-5-Methyl-2-phenyl-4-(trifluoroacetyl)-2,4-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-phenyl-4-(2,2,2-trifluoroacetyl)-, (4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 377.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.5±3.0 kJ/mol
Flash Point: 182.1±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 61.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.21
ACD/LogD (pH 7.4): -0.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 50 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 192.1±7.0 cm3

Click to predict properties on the Chemicalize site


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