ChemSpider 2D Image | 4-Fluoro-3-{[2-(1-methyl-1H-pyrrol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile | C17H18FN3

4-Fluoro-3-{[2-(1-methyl-1H-pyrrol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile

  • Molecular FormulaC17H18FN3
  • Average mass283.343 Da
  • Monoisotopic mass283.148468 Da
  • ChemSpider ID30049501

More details:

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

4-Fluor-3-{[2-(1-methyl-1H-pyrrol-2-yl)-1-pyrrolidinyl]methyl}benzonitril [German] [ACD/IUPAC Name]
4-Fluoro-3-{[2-(1-methyl-1H-pyrrol-2-yl)-1-pyrrolidinyl]methyl}benzonitrile [ACD/IUPAC Name]
4-Fluoro-3-{[2-(1-méthyl-1H-pyrrol-2-yl)-1-pyrrolidinyl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-fluoro-3-[[2-(1-methyl-1H-pyrrol-2-yl)-1-pyrrolidinyl]methyl]- [ACD/Index Name]
4-FLUORO-3-{[2-(1-METHYL-1H-PYRROL-2-YL)PYRROLIDIN-1-YL]METHYL}BENZONITRILE
4-FLUORO-3-{[2-(1-METHYLPYRROL-2-YL)PYRROLIDIN-1-YL]METHYL}BENZONITRILE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.3±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 2.16
ACD/KOC (pH 7.4): 22.69
Polar Surface Area: 32 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 241.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement