ChemSpider 2D Image | N~2~-[3-(2,2-Difluoroethoxy)propanoyl]-D-asparagine | C9H14F2N2O5

N2-[3-(2,2-Difluoroethoxy)propanoyl]-D-asparagine

  • Molecular FormulaC9H14F2N2O5
  • Average mass268.215 Da
  • Monoisotopic mass268.087067 Da
  • ChemSpider ID55868541

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

D-Asparagine, N2-[3-(2,2-difluoroethoxy)-1-oxopropyl]- [ACD/Index Name]
N2-[3-(2,2-Difluorethoxy)propanoyl]-D-asparagin [German] [ACD/IUPAC Name]
N2-[3-(2,2-Difluoroethoxy)propanoyl]-D-asparagine [ACD/IUPAC Name]
N2-[3-(2,2-Difluoroéthoxy)propanoyl]-D-asparagine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 97.6±6.0 kJ/mol
Flash Point: 317.0±31.5 °C
Index of Refraction: 1.467
Molar Refractivity: 54.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: -1.65
ACD/LogD (pH 5.5): -3.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 196.5±3.0 cm3

Click to predict properties on the Chemicalize site


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