ChemSpider 2D Image | 4-[(4R)-4-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile | C19H14F3N3O3

4-[(4R)-4-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC19H14F3N3O3
  • Average mass389.328 Da
  • Monoisotopic mass389.098724 Da
  • ChemSpider ID28669488

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(4R)-4-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-[(4R)-4-(4-Hydroxyphenyl)-3,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-[(4R)-4-(4-Hydroxyphényl)-3,4-diméthyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
4-[(4r)-4-(4-Hydroxyphenyl)-3,4-Dimethyl-2,5-Dioxoimidazolidin-1-Yl]-2-(Trifluoromethyl)benzonitrile
Benzonitrile, 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxo-1-imidazolidinyl]-2-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 280.3±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.83
ACD/KOC (pH 5.5): 905.12
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.75
ACD/KOC (pH 7.4): 894.77
Polar Surface Area: 85 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 258.1±5.0 cm3

Click to predict properties on the Chemicalize site


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