ChemSpider 2D Image | (2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-fluorophenyl)-2-propen-1-one | C16H11FO3

(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-fluorophenyl)-2-propen-1-one

  • Molecular FormulaC16H11FO3
  • Average mass270.255 Da
  • Monoisotopic mass270.069214 Da
  • ChemSpider ID21469593

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-fluorophenyl)-2-propen-1-one [ACD/IUPAC Name]
(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-fluorophényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2Z)-3-(1,3-Benzodioxol-5-yl)-1-(4-fluorphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-, (2Z)- [ACD/Index Name]
(2Z)-3-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)prop-2-en-1-one
7397-23-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 420.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 200.9±23.6 °C
Index of Refraction: 1.633
Molar Refractivity: 73.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.21
ACD/KOC (pH 5.5): 1749.98
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.21
ACD/KOC (pH 7.4): 1749.98
Polar Surface Area: 36 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 205.2±3.0 cm3

Click to predict properties on the Chemicalize site


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