ChemSpider 2D Image | 2-Methyl-2-propanyl N-[(2S)-2-{[(ethylcarbamoyl)amino]methyl}-3,3,3-trifluoropropanoyl]valinate | C16H28F3N3O4

2-Methyl-2-propanyl N-[(2S)-2-{[(ethylcarbamoyl)amino]methyl}-3,3,3-trifluoropropanoyl]valinate

  • Molecular FormulaC16H28F3N3O4
  • Average mass383.406 Da
  • Monoisotopic mass383.203186 Da
  • ChemSpider ID30658932

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Methyl-2-propanyl N-[(2S)-2-{[(ethylcarbamoyl)amino]methyl}-3,3,3-trifluoropropanoyl]valinate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-[(2S)-2-{[(ethylcarbamoyl)amino]methyl}-3,3,3-trifluorpropanoyl]valinat [German] [ACD/IUPAC Name]
N-[(2S)-2-{[(Éthylcarbamoyl)amino]méthyl}-3,3,3-trifluoropropanoyl]valinate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Valine, N-[(2S)-2-[[[(ethylamino)carbonyl]amino]methyl]-3,3,3-trifluoro-1-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 498.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±28.7 °C
Index of Refraction: 1.446
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.71
ACD/KOC (pH 5.5): 594.45
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 52.71
ACD/KOC (pH 7.4): 594.45
Polar Surface Area: 97 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 334.4±3.0 cm3

Click to predict properties on the Chemicalize site


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