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

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

  • Molecular FormulaC21H17BrF3N3O2
  • Average mass480.278 Da
  • Monoisotopic mass479.045624 Da
  • ChemSpider ID58406865

More details:

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

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

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: 3.23
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1254.86
ACD/KOC (pH 5.5): 5748.77
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1254.86
ACD/KOC (pH 7.4): 5748.77
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


Advertisement