ChemSpider 2D Image | [4-Fluoro-3-(trifluoromethyl)phenyl][4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone | C22H24F4N2O

[4-Fluoro-3-(trifluoromethyl)phenyl][4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone

  • Molecular FormulaC22H24F4N2O
  • Average mass408.432 Da
  • Monoisotopic mass408.182465 Da
  • ChemSpider ID70830941

More details:

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

[4-Fluor-3-(trifluormethyl)phenyl][4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanon [German] [ACD/IUPAC Name]
[4-Fluoro-3-(trifluoromethyl)phenyl][4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone [ACD/IUPAC Name]
[4-Fluoro-3-(trifluorométhyl)phényl][4-(3-phénylpropyl)-1,4-diazépan-1-yl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-fluoro-3-(trifluoromethyl)phenyl][hexahydro-4-(3-phenylpropyl)-1H-1,4-diazepin-1-yl]- [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: 510.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.5±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 11.26
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 106.89
ACD/KOC (pH 7.4): 547.10
Polar Surface Area: 24 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 335.8±3.0 cm3

Click to predict properties on the Chemicalize site


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