ChemSpider 2D Image | (2E)-1-[3-(2,4-Difluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-propen-1-one | C23H25F2NO3

(2E)-1-[3-(2,4-Difluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-propen-1-one

  • Molecular FormulaC23H25F2NO3
  • Average mass401.446 Da
  • Monoisotopic mass401.180237 Da
  • ChemSpider ID22866216

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-[3-(2,4-Difluorbenzyl)-3-(hydroxymethyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-[3-(2,4-Difluorobenzyl)-3-(hydroxymethyl)-1-piperidinyl]-3-(4-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-[3-(2,4-Difluorobenzyl)-3-(hydroxyméthyl)-1-pipéridinyl]-3-(4-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-[3-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-1-piperidinyl]-3-(4-methoxyphenyl)-, (2E)- [ACD/Index Name]
{3-(2,4-difluorobenzyl)-1-[(2E)-3-(4-methoxyphenyl)-2-propenoyl]-3-piperidinyl}methanol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 583.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 306.7±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 108.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.46
ACD/KOC (pH 5.5): 1143.48
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.46
ACD/KOC (pH 7.4): 1143.48
Polar Surface Area: 50 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 325.4±3.0 cm3

Click to predict properties on the Chemicalize site


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