ChemSpider 2D Image | 2-Methyl-2-propanyl N-[3-(benzoylamino)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butanoyl]-L-phenylalaninate | C26H28F6N2O4

2-Methyl-2-propanyl N-[3-(benzoylamino)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butanoyl]-L-phenylalaninate

  • Molecular FormulaC26H28F6N2O4
  • Average mass546.502 Da
  • Monoisotopic mass546.195313 Da
  • ChemSpider ID9482290

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-[3-(benzoylamino)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butanoyl]-L-phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[3-(benzoylamino)-4,4,4-trifluor-2-methyl-3-(trifluormethyl)butanoyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
L-Phenylalanine, N-[3-(benzoylamino)-4,4,4-trifluoro-2-methyl-1-oxo-3-(trifluoromethyl)butyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
N-[3-(Benzoylamino)-4,4,4-trifluoro-2-méthyl-3-(trifluorométhyl)butanoyl]-L-phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±31.5 °C
Index of Refraction: 1.496
Molar Refractivity: 126.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 6.49
ACD/BCF (pH 5.5): 50871.14
ACD/KOC (pH 5.5): 81365.62
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 49819.69
ACD/KOC (pH 7.4): 79683.89
Polar Surface Area: 85 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 431.6±3.0 cm3

Click to predict properties on the Chemicalize site


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