ChemSpider 2D Image | 3-(2-Fluorophenyl)-1-{4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl}-1-propanone | C22H24F4N2O

3-(2-Fluorophenyl)-1-{4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl}-1-propanone

  • Molecular FormulaC22H24F4N2O
  • Average mass408.432 Da
  • Monoisotopic mass408.182465 Da
  • ChemSpider ID70842600

More details:

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

1-Propanone, 3-(2-fluorophenyl)-1-[hexahydro-4-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,4-diazepin-1-yl]- [ACD/Index Name]
3-(2-Fluorophenyl)-1-{4-[4-(trifluoromethyl)benzyl]-1,4-diazepan-1-yl}-1-propanone [ACD/IUPAC Name]
3-(2-Fluorophényl)-1-{4-[4-(trifluorométhyl)benzyl]-1,4-diazépan-1-yl}-1-propanone [French] [ACD/IUPAC Name]
3-(2-Fluorphenyl)-1-{4-[4-(trifluormethyl)benzyl]-1,4-diazepan-1-yl}-1-propanon [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: 496.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.4±3.0 kJ/mol
Flash Point: 253.9±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 102.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 83.15
ACD/KOC (pH 5.5): 407.90
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 866.81
ACD/KOC (pH 7.4): 4252.25
Polar Surface Area: 24 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 330.8±3.0 cm3

Click to predict properties on the Chemicalize site


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