ChemSpider 2D Image | 1-(2,4,6-Trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]-4(1H)-quinazolinone | C22H12F6N2O2

1-(2,4,6-Trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]-4(1H)-quinazolinone

  • Molecular FormulaC22H12F6N2O2
  • Average mass450.333 Da
  • Monoisotopic mass450.080292 Da
  • ChemSpider ID30831415

More details:

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

1-(2,4,6-Trifluorbenzyl)-6-[2-(trifluormethyl)phenoxy]-4(1H)-chinazolinon [German] [ACD/IUPAC Name]
1-(2,4,6-Trifluorobenzyl)-6-[2-(trifluoromethyl)phenoxy]-4(1H)-quinazolinone [ACD/IUPAC Name]
1-(2,4,6-Trifluorobenzyl)-6-[2-(trifluorométhyl)phénoxy]-4(1H)-quinazolinone [French] [ACD/IUPAC Name]
1-(2,4,6-Trifluorobenzyl)-6-[2-(Trifluoromethyl)phenoxy]quinazolin-4(1h)-One
4(1H)-Quinazolinone, 6-[2-(trifluoromethyl)phenoxy]-1-[(2,4,6-trifluorophenyl)methyl]- [ACD/Index Name]
1NU

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

Density: 1.4±0.1 g/cm3
Boiling Point: 505.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.2±32.9 °C
Index of Refraction: 1.567
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3869.04
ACD/KOC (pH 5.5): 12870.58
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3869.12
ACD/KOC (pH 7.4): 12870.84
Polar Surface Area: 42 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 314.4±7.0 cm3

Click to predict properties on the Chemicalize site


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