ChemSpider 2D Image | 6,8-Dichloro-1'-[(2E)-3-(4-fluorophenyl)-2-propenoyl]spiro[chromene-2,4'-piperidin]-4(3H)-one | C22H18Cl2FNO3

6,8-Dichloro-1'-[(2E)-3-(4-fluorophenyl)-2-propenoyl]spiro[chromene-2,4'-piperidin]-4(3H)-one

  • Molecular FormulaC22H18Cl2FNO3
  • Average mass434.288 Da
  • Monoisotopic mass433.064789 Da
  • ChemSpider ID34713878
  • Double-bond stereo - Double-bond stereo


More details:






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

6,8-Dichlor-1'-[(2E)-3-(4-fluorphenyl)-2-propenoyl]spiro[chromene-2,4'-piperidin]-4(3H)-on [German] [ACD/IUPAC Name]
6,8-Dichloro-1'-[(2E)-3-(4-fluorophenyl)-2-propenoyl]spiro[chromene-2,4'-piperidin]-4(3H)-one [ACD/IUPAC Name]
6,8-Dichloro-1'-[(2E)-3-(4-fluorophényl)-2-propenoyl]spiro[chromene-2,4'-piperidin]-4(3H)-one [French] [ACD/IUPAC Name]
Spiro[2H-1-benzopyran-2,4'-piperidin]-4(3H)-one, 6,8-dichloro-1'-[(2E)-3-(4-fluorophenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 652.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.644
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.50
ACD/BCF (pH 5.5): 8913.79
ACD/KOC (pH 5.5): 23390.76
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 8913.80
ACD/KOC (pH 7.4): 23390.78
Polar Surface Area: 47 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 301.8±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement