ChemSpider 2D Image | {1-[4-(Difluoromethoxy)benzyl]-3-piperidinyl}(3,4-dimethoxyphenyl)methanone | C22H25F2NO4

{1-[4-(Difluoromethoxy)benzyl]-3-piperidinyl}(3,4-dimethoxyphenyl)methanone

  • Molecular FormulaC22H25F2NO4
  • Average mass405.435 Da
  • Monoisotopic mass405.175171 Da
  • ChemSpider ID23062697

More details:

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

{1-[4-(Difluormethoxy)benzyl]-3-piperidinyl}(3,4-dimethoxyphenyl)methanon [German] [ACD/IUPAC Name]
{1-[4-(Difluoromethoxy)benzyl]-3-piperidinyl}(3,4-dimethoxyphenyl)methanone [ACD/IUPAC Name]
{1-[4-(Difluorométhoxy)benzyl]-3-pipéridinyl}(3,4-diméthoxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [1-[[4-(difluoromethoxy)phenyl]methyl]-3-piperidinyl](3,4-dimethoxyphenyl)- [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: 501.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 256.9±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 105.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 20.32
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 112.27
ACD/KOC (pH 7.4): 819.83
Polar Surface Area: 48 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 336.1±3.0 cm3

Click to predict properties on the Chemicalize site


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