ChemSpider 2D Image | 4-[(5S)-6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile | C13H10FN3

4-[(5S)-6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile

  • Molecular FormulaC13H10FN3
  • Average mass227.237 Da
  • Monoisotopic mass227.085876 Da
  • ChemSpider ID82966227

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-[(5S)-6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorbenzonitril [German] [ACD/IUPAC Name]
4-[(5S)-6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile [ACD/IUPAC Name]
4-[(5S)-6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[(5S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluoro- [ACD/Index 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: 433.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.2±28.7 °C
Index of Refraction: 1.664
Molar Refractivity: 63.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.00
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 13.23
ACD/KOC (pH 7.4): 202.30
Polar Surface Area: 42 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 171.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement