ChemSpider 2D Image | (2E)-1-[4-(3,4-Difluorophenoxy)-1-piperidinyl]-3-(3-isopropoxyphenyl)-2-propen-1-one | C23H25F2NO3

(2E)-1-[4-(3,4-Difluorophenoxy)-1-piperidinyl]-3-(3-isopropoxyphenyl)-2-propen-1-one

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID30877465

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[4-(3,4-Difluorophenoxy)-1-piperidinyl]-3-(3-isopropoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[4-(3,4-Difluorophénoxy)-1-pipéridinyl]-3-(3-isopropoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-[4-(3,4-Difluorphenoxy)-1-piperidinyl]-3-(3-isopropoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-(3,4-difluorophenoxy)-1-piperidinyl]-3-[3-(1-methylethoxy)phenyl]-, (2E)- [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: 557.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.1±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 693.26
ACD/KOC (pH 5.5): 3759.36
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 693.26
ACD/KOC (pH 7.4): 3759.36
Polar Surface Area: 39 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 332.9±3.0 cm3

Click to predict properties on the Chemicalize site


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