ChemSpider 2D Image | 2-Methyl-2-propanyl [(2S)-4-cyano-3-oxo-4-(pentafluorophenyl)-1-phenyl-2-butanyl]carbamate | C22H19F5N2O3

2-Methyl-2-propanyl [(2S)-4-cyano-3-oxo-4-(pentafluorophenyl)-1-phenyl-2-butanyl]carbamate

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID34892879

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

[(2S)-4-Cyano-3-oxo-4-(pentafluorophényl)-1-phényl-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-4-cyano-3-oxo-4-(pentafluorophenyl)-1-phenyl-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-4-cyan-3-oxo-4-(pentafluorphenyl)-1-phenyl-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-cyano-2-oxo-3-(2,3,4,5,6-pentafluorophenyl)-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index 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: 486.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 247.8±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 102.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 79 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 340.0±3.0 cm3

Click to predict properties on the Chemicalize site


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