ChemSpider 2D Image | 3-Nitro-N-(4-{4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl}benzyl)-5-(trifluoromethyl)benzamide | C27H23F6N3O4

3-Nitro-N-(4-{4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl}benzyl)-5-(trifluoromethyl)benzamide

  • Molecular FormulaC27H23F6N3O4
  • Average mass567.480 Da
  • Monoisotopic mass567.159302 Da
  • ChemSpider ID90668643

More details:

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

3-Nitro-N-(4-{4-[4-(trifluormethoxy)phenyl]-1-piperidinyl}benzyl)-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
3-Nitro-N-(4-{4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl}benzyl)-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
3-Nitro-N-(4-{4-[4-(trifluorométhoxy)phényl]-1-pipéridinyl}benzyl)-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-nitro-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl]phenyl]methyl]-5-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 615.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.39
ACD/BCF (pH 5.5): 40653.14
ACD/KOC (pH 5.5): 66671.58
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46507.03
ACD/KOC (pH 7.4): 76272.02
Polar Surface Area: 87 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 412.7±3.0 cm3

Click to predict properties on the Chemicalize site


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