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Search term: AHQKVBXBNVNXQA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2E)-1-[4-(3,4-Difluorophenoxy)-1-piperidinyl]-3-(4-propoxyphenyl)-2-propen-1-one | C23H25F2NO3

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

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID30877468

  • 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-(4-propoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[4-(3,4-Difluorophénoxy)-1-pipéridinyl]-3-(4-propoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-[4-(3,4-Difluorphenoxy)-1-piperidinyl]-3-(4-propoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-(3,4-difluorophenoxy)-1-piperidinyl]-3-(4-propoxyphenyl)-, (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: 570.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.1±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 108.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 877.52
ACD/KOC (pH 5.5): 4450.26
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 877.52
ACD/KOC (pH 7.4): 4450.26
Polar Surface Area: 39 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 332.5±3.0 cm3

Click to predict properties on the Chemicalize site


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