ChemSpider 2D Image | N-[(2-Fluorophenyl)carbamoyl]-D-valine | C12H15FN2O3

N-[(2-Fluorophenyl)carbamoyl]-D-valine

  • Molecular FormulaC12H15FN2O3
  • Average mass254.258 Da
  • Monoisotopic mass254.106674 Da
  • ChemSpider ID47103010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Valine, N-[[(2-fluorophenyl)amino]carbonyl]- [ACD/Index Name]
N-[(2-Fluorophenyl)carbamoyl]-D-valine [ACD/IUPAC Name]
N-[(2-Fluorophényl)carbamoyl]-D-valine [French] [ACD/IUPAC Name]
N-[(2-Fluorphenyl)carbamoyl]-D-valin [German] [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: 380.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 183.8±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 64.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): -0.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 78 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 196.9±3.0 cm3

Click to predict properties on the Chemicalize site


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