ChemSpider 2D Image | N-Acetyl-L-alanyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide | C16H24F3N3O4

N-Acetyl-L-alanyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide

  • Molecular FormulaC16H24F3N3O4
  • Average mass379.375 Da
  • Monoisotopic mass379.171906 Da
  • ChemSpider ID30845894

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-acetyl-L-alanyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]- [ACD/Index Name]
N-Acetyl-L-alanyl-N-[(3S)-1,1,1-trifluor-4-methyl-2-oxo-3-pentanyl]-L-prolinamid [German] [ACD/IUPAC Name]
N-Acetyl-L-alanyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-Acétyl-L-alanyl-N-[(3S)-1,1,1-trifluoro-4-méthyl-2-oxo-3-pentanyl]-L-prolinamide [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: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.7±30.1 °C
Index of Refraction: 1.472
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 98.66
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 98.65
Polar Surface Area: 96 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 303.7±3.0 cm3

Click to predict properties on the Chemicalize site


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