ChemSpider 2D Image | Methyl 4-cyano-5-(2,3-difluorophenyl)-1-methylprolinate | C14H14F2N2O2

Methyl 4-cyano-5-(2,3-difluorophenyl)-1-methylprolinate

  • Molecular FormulaC14H14F2N2O2
  • Average mass280.270 Da
  • Monoisotopic mass280.102325 Da
  • ChemSpider ID24716165

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-Cyano-5-(2,3-difluorophényl)-1-méthylprolinate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-cyano-5-(2,3-difluorophenyl)-1-methylprolinate [ACD/IUPAC Name]
Methyl-4-cyan-5-(2,3-difluorphenyl)-1-methylprolinat [German] [ACD/IUPAC Name]
Proline, 4-cyano-5-(2,3-difluorophenyl)-1-methyl-, methyl ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514493/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 352.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.2±27.9 °C
Index of Refraction: 1.534
Molar Refractivity: 67.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.08
ACD/KOC (pH 5.5): 189.16
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.26
ACD/KOC (pH 7.4): 209.19
Polar Surface Area: 53 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 217.3±5.0 cm3

Click to predict properties on the Chemicalize site


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