ChemSpider 2D Image | 2-[3-(2,5-Dihydro-1H-pyrrol-1-yl)-1-pyrrolidinyl]-5-(trifluoromethyl)benzonitrile | C16H16F3N3

2-[3-(2,5-Dihydro-1H-pyrrol-1-yl)-1-pyrrolidinyl]-5-(trifluoromethyl)benzonitrile

  • Molecular FormulaC16H16F3N3
  • Average mass307.314 Da
  • Monoisotopic mass307.129639 Da
  • ChemSpider ID35153441

More details:

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

2-[3-(2,5-Dihydro-1H-pyrrol-1-yl)-1-pyrrolidinyl]-5-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
2-[3-(2,5-Dihydro-1H-pyrrol-1-yl)-1-pyrrolidinyl]-5-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
2-[3-(2,5-Dihydro-1H-pyrrol-1-yl)-1-pyrrolidinyl]-5-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[3-(2,5-dihydro-1H-pyrrol-1-yl)-1-pyrrolidinyl]-5-(trifluoromethyl)- [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: 420.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.9±28.7 °C
Index of Refraction: 1.578
Molar Refractivity: 76.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.31
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 32.26
ACD/KOC (pH 7.4): 302.85
Polar Surface Area: 30 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 231.9±5.0 cm3

Click to predict properties on the Chemicalize site


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