ChemSpider 2D Image | {3-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}[4-(trifluoromethyl)phenyl]methanone | C21H17BrF3N3O2

{3-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}[4-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC21H17BrF3N3O2
  • Average mass480.278 Da
  • Monoisotopic mass479.045624 Da
  • ChemSpider ID29258554

More details:

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

{3-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}[4-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
{3-[3-(4-Bromophényl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}[4-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
{3-[3-(4-Bromphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}[4-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
Methanone, [3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl][4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 576.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.2±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 106.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.95
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3475.85
ACD/KOC (pH 5.5): 11920.26
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3475.85
ACD/KOC (pH 7.4): 11920.26
Polar Surface Area: 59 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 322.9±3.0 cm3

Click to predict properties on the Chemicalize site


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