ChemSpider 2D Image | 5-{[(3S,4R)-4-(4-Fluorophenyl)-3-piperidinyl]methoxy}-1H-isoindol-1-one | C20H19FN2O2

5-{[(3S,4R)-4-(4-Fluorophenyl)-3-piperidinyl]methoxy}-1H-isoindol-1-one

  • Molecular FormulaC20H19FN2O2
  • Average mass338.375 Da
  • Monoisotopic mass338.143066 Da
  • ChemSpider ID35034778

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Isoindol-1-one, 5-[[(3S,4R)-4-(4-fluorophenyl)-3-piperidinyl]methoxy]- [ACD/Index Name]
5-{[(3S,4R)-4-(4-Fluorophenyl)-3-piperidinyl]methoxy}-1H-isoindol-1-one [ACD/IUPAC Name]
5-{[(3S,4R)-4-(4-Fluorophényl)-3-pipéridinyl]méthoxy}-1H-isoindol-1-one [French] [ACD/IUPAC Name]
5-{[(3s,4r)-4-(4-Fluorophenyl)piperidin-3-Yl]methoxy}-1h-Isoindol-1-One
5-{[(3S,4R)-4-(4-Fluorphenyl)-3-piperidinyl]methoxy}-1H-isoindol-1-on [German] [ACD/IUPAC Name]
29X

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

Density: 1.3±0.1 g/cm3
Boiling Point: 526.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.1±3.0 kJ/mol
Flash Point: 272.4±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 92.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.59
Polar Surface Area: 51 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 256.5±7.0 cm3

Click to predict properties on the Chemicalize site


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