ChemSpider 2D Image | 1-[3-(4-Fluorophenoxy)propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane | C20H23F4N3O

1-[3-(4-Fluorophenoxy)propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane

  • Molecular FormulaC20H23F4N3O
  • Average mass397.410 Da
  • Monoisotopic mass397.177734 Da
  • ChemSpider ID33155773

More details:

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

1-[3-(4-Fluorophenoxy)propyl]-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane [ACD/IUPAC Name]
1-[3-(4-Fluorophénoxy)propyl]-4-[5-(trifluorométhyl)-2-pyridinyl]-1,4-diazépane [French] [ACD/IUPAC Name]
1-[3-(4-Fluorphenoxy)propyl]-4-[5-(trifluormethyl)-2-pyridinyl]-1,4-diazepan [German] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1-[3-(4-fluorophenoxy)propyl]hexahydro-4-[5-(trifluoromethyl)-2-pyridinyl]- [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: 508.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 261.1±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 6.74
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 133.22
ACD/KOC (pH 7.4): 556.15
Polar Surface Area: 29 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 323.9±3.0 cm3

Click to predict properties on the Chemicalize site


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