Found 125 results

Search term: MF = 'C_{22}H_{24}FN_{3}'
ChemSpider 2D Image | 2-{[(1S,5R)-3-(4-Fluorobenzyl)-3,6-diazabicyclo[3.2.2]non-6-yl]methyl}benzonitrile | C22H24FN3

2-{[(1S,5R)-3-(4-Fluorobenzyl)-3,6-diazabicyclo[3.2.2]non-6-yl]methyl}benzonitrile

  • Molecular FormulaC22H24FN3
  • Average mass349.444 Da
  • Monoisotopic mass349.195435 Da
  • ChemSpider ID29471612

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-{[(1S,5R)-3-(4-Fluorbenzyl)-3,6-diazabicyclo[3.2.2]non-6-yl]methyl}benzonitril [German] [ACD/IUPAC Name]
2-{[(1S,5R)-3-(4-Fluorobenzyl)-3,6-diazabicyclo[3.2.2]non-6-yl]methyl}benzonitrile [ACD/IUPAC Name]
2-{[(1S,5R)-3-(4-Fluorobenzyl)-3,6-diazabicyclo[3.2.2]non-6-yl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-[[(1S,5R)-3-[(4-fluorophenyl)methyl]-3,6-diazabicyclo[3.2.2]non-6-yl]methyl]- [ACD/Index Name]
2-{[(1S*,5R*)-3-(4-fluorobenzyl)-3,6-diazabicyclo[3.2.2]non-6-yl]methyl}benzonitrile

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

Density: 1.2±0.1 g/cm3
Boiling Point: 468.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 237.0±25.9 °C
Index of Refraction: 1.623
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 16.83
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 100.41
ACD/KOC (pH 7.4): 741.67
Polar Surface Area: 30 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 287.8±5.0 cm3

Click to predict properties on the Chemicalize site


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