ChemSpider 2D Image | N-(2-{4-[Bis(4-fluorophenyl)methoxy]phenyl}ethyl)-5-fluoro-2-methylaniline | C28H24F3NO

N-(2-{4-[Bis(4-fluorophenyl)methoxy]phenyl}ethyl)-5-fluoro-2-methylaniline

  • Molecular FormulaC28H24F3NO
  • Average mass447.491 Da
  • Monoisotopic mass447.181000 Da
  • ChemSpider ID110812918

More details:

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

Benzeneethanamine, 4-[bis(4-fluorophenyl)methoxy]-N-(5-fluoro-2-methylphenyl)- [ACD/Index Name]
N-(2-{4-[Bis(4-fluorophenyl)methoxy]phenyl}ethyl)-5-fluoro-2-methylaniline [ACD/IUPAC Name]
N-(2-{4-[Bis(4-fluorophényl)méthoxy]phényl}éthyl)-5-fluoro-2-méthylaniline [French] [ACD/IUPAC Name]
N-(2-{4-[Bis(4-fluorphenyl)methoxy]phenyl}ethyl)-5-fluor-2-methylanilin [German] [ACD/IUPAC 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: 578.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 125.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.92
ACD/LogD (pH 5.5): 7.10
ACD/BCF (pH 5.5): 144862.16
ACD/KOC (pH 5.5): 170638.91
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 149225.78
ACD/KOC (pH 7.4): 175779.00
Polar Surface Area: 21 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 44.5±3.0 dyne/cm
Molar Volume: 363.5±3.0 cm3

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