ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-4-fluoro-Nalpha-[2-(trifluoromethyl)benzoyl]phenylalaninamide | C25H26F4N2O2

N-[2-(1-Cyclohexen-1-yl)ethyl]-4-fluoro-Nα-[2-(trifluoromethyl)benzoyl]phenylalaninamide

  • Molecular FormulaC25H26F4N2O2
  • Average mass462.480 Da
  • Monoisotopic mass462.193054 Da
  • ChemSpider ID117373522

More details:

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

Benzenepropanamide, N-[2-(1-cyclohexen-1-yl)ethyl]-4-fluoro-α-[[2-(trifluoromethyl)benzoyl]amino]- [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-4-fluor-Nα-[2-(trifluormethyl)benzoyl]phenylalaninamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-4-fluoro-Nα-[2-(trifluoromethyl)benzoyl]phenylalaninamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-4-fluoro-Nα-[2-(trifluorométhyl)benzoyl]phénylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 638.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 339.8±31.5 °C
Index of Refraction: 1.536
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.02
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 7473.22
ACD/KOC (pH 5.5): 20618.05
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7473.11
ACD/KOC (pH 7.4): 20617.76
Polar Surface Area: 58 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 374.3±3.0 cm3

Click to predict properties on the Chemicalize site


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