ChemSpider 2D Image | 3,5-Difluoro-4-(2-isopropyl-1-pyrrolidinyl)benzonitrile | C14H16F2N2

3,5-Difluoro-4-(2-isopropyl-1-pyrrolidinyl)benzonitrile

  • Molecular FormulaC14H16F2N2
  • Average mass250.287 Da
  • Monoisotopic mass250.128159 Da
  • ChemSpider ID48515912

More details:

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

3,5-Difluor-4-(2-isopropyl-1-pyrrolidinyl)benzonitril [German] [ACD/IUPAC Name]
3,5-Difluoro-4-(2-isopropyl-1-pyrrolidinyl)benzonitrile [ACD/IUPAC Name]
3,5-Difluoro-4-(2-isopropyl-1-pyrrolidinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,5-difluoro-4-[2-(1-methylethyl)-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 337.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.1±3.0 kJ/mol
Flash Point: 157.9±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 417.70
ACD/KOC (pH 5.5): 2615.90
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 417.71
ACD/KOC (pH 7.4): 2615.91
Polar Surface Area: 27 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 213.1±5.0 cm3

Click to predict properties on the Chemicalize site


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