ChemSpider 2D Image | 1-[4-(2,4-Difluorophenoxy)-1-piperidinyl]-3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}-1-propanone | C21H20F5N3O4

1-[4-(2,4-Difluorophenoxy)-1-piperidinyl]-3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}-1-propanone

  • Molecular FormulaC21H20F5N3O4
  • Average mass473.393 Da
  • Monoisotopic mass473.137390 Da
  • ChemSpider ID48168246

More details:

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

1-[4-(2,4-Difluorophenoxy)-1-piperidinyl]-3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}-1-propanone [ACD/IUPAC Name]
1-[4-(2,4-Difluorophénoxy)-1-pipéridinyl]-3-{[2-nitro-4-(trifluorométhyl)phényl]amino}-1-propanone [French] [ACD/IUPAC Name]
1-[4-(2,4-Difluorphenoxy)-1-piperidinyl]-3-{[2-nitro-4-(trifluormethyl)phenyl]amino}-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[4-(2,4-difluorophenoxy)-1-piperidinyl]-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]- [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: 595.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.16
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3192.13
ACD/KOC (pH 5.5): 11215.42
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3192.13
ACD/KOC (pH 7.4): 11215.42
Polar Surface Area: 87 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 332.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement