ChemSpider 2D Image | 1-[4-({5-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-1-octanone | C22H29F3N4O2

1-[4-({5-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-1-octanone

  • Molecular FormulaC22H29F3N4O2
  • Average mass438.487 Da
  • Monoisotopic mass438.224274 Da
  • ChemSpider ID22776078

More details:

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

1-[4-({5-[4-(Trifluormethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-1-octanon [German] [ACD/IUPAC Name]
1-[4-({5-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)-1-piperazinyl]-1-octanone [ACD/IUPAC Name]
1-[4-({5-[4-(Trifluorométhyl)phényl]-1,2,4-oxadiazol-3-yl}méthyl)-1-pipérazinyl]-1-octanone [French] [ACD/IUPAC Name]
1-Octanone, 1-[4-[[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methyl]-1-piperazinyl]- [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: 542.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.7±32.9 °C
Index of Refraction: 1.513
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5994.16
ACD/KOC (pH 5.5): 17602.29
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5999.92
ACD/KOC (pH 7.4): 17619.23
Polar Surface Area: 62 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 365.2±3.0 cm3

Click to predict properties on the Chemicalize site


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