ChemSpider 2D Image | 4-{[(1R)-3-(1H-Imidazol-1-yl)-6,6-dimethyl-2-cyclohexen-1-yl](methyl)amino}-2-(trifluoromethyl)benzonitrile | C20H21F3N4

4-{[(1R)-3-(1H-Imidazol-1-yl)-6,6-dimethyl-2-cyclohexen-1-yl](methyl)amino}-2-(trifluoromethyl)benzonitrile

  • Molecular FormulaC20H21F3N4
  • Average mass374.403 Da
  • Monoisotopic mass374.171844 Da
  • ChemSpider ID72380078

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1642818-64-1 [RN]
4-{[(1R)-3-(1H-Imidazol-1-yl)-6,6-dimethyl-2-cyclohexen-1-yl](methyl)amino}-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-{[(1R)-3-(1H-Imidazol-1-yl)-6,6-dimethyl-2-cyclohexen-1-yl](methyl)amino}-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-{[(1R)-3-(1H-Imidazol-1-yl)-6,6-diméthyl-2-cyclohexén-1-yl](méthyl)amino}-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[(1R)-3-(1H-imidazol-1-yl)-6,6-dimethyl-2-cyclohexen-1-yl]methylamino]-2-(trifluoromethyl)- [ACD/Index Name]
(R)-4-((3-(1H-imidazol-1-yl)-6,6-dimethylcyclohex-2-en-1-yl)(methyl)amino)-2-(trifluoromethyl)benzonitrile
4-[[(1R)-3-imidazol-1-yl-6,6-dimethylcyclohex-2-en-1-yl]-methylamino]-2-(trifluoromethyl)benzonitrile
ODM-204

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

Density: 1.2±0.1 g/cm3
Boiling Point: 551.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 287.6±32.9 °C
Index of Refraction: 1.562
Molar Refractivity: 100.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 96.01
ACD/KOC (pH 5.5): 403.49
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1391.24
ACD/KOC (pH 7.4): 5846.64
Polar Surface Area: 45 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 308.8±7.0 cm3

Click to predict properties on the Chemicalize site


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