ChemSpider 2D Image | 1,4-Bis(3-fluorobenzyl)-1,4-diazepane | C19H22F2N2

1,4-Bis(3-fluorobenzyl)-1,4-diazepane

  • Molecular FormulaC19H22F2N2
  • Average mass316.388 Da
  • Monoisotopic mass316.175110 Da
  • ChemSpider ID27457402

More details:

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

1,4-Bis(3-fluorbenzyl)-1,4-diazepan [German] [ACD/IUPAC Name]
1,4-Bis(3-fluorobenzyl)-1,4-diazepane [ACD/IUPAC Name]
1,4-Bis(3-fluorobenzyl)-1,4-diazépane [French] [ACD/IUPAC Name]
1H-1,4-Diazepine, 1,4-bis[(3-fluorophenyl)methyl]hexahydro- [ACD/Index Name]
1,4-Bis-(3-fluorobenzyl)-[1,4]diazepane
1,4-Bis-(3-fluoro-benzyl)-[1,4]diazepane
1,4-bis[(3-fluorophenyl)methyl]-1,4-diazaperhydroepine
1261235-23-7 [RN]
MFCD18380026

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 187.1±27.9 °C
Index of Refraction: 1.566
Molar Refractivity: 88.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.48
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 30.82
ACD/KOC (pH 7.4): 239.51
Polar Surface Area: 6 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 271.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement