ChemSpider 2D Image | (2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one | C17H12F3NO3

(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one

  • Molecular FormulaC17H12F3NO3
  • Average mass335.277 Da
  • Monoisotopic mass335.076935 Da
  • ChemSpider ID30652420

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluormethyl)phenyl]-2-propen-1-on [German] [ACD/IUPAC Name]
(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-(6-Amino-1,3-benzodioxol-5-yl)-3-[4-(trifluorométhyl)phényl]-2-propén-1-one [French] [ACD/IUPAC Name]
2-Propen-1-one, 1-(6-amino-1,3-benzodioxol-5-yl)-3-[4-(trifluoromethyl)phenyl]-, (2E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 485.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.6±28.7 °C
Index of Refraction: 1.614
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.52
ACD/KOC (pH 5.5): 1855.52
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.52
ACD/KOC (pH 7.4): 1855.53
Polar Surface Area: 62 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 236.8±3.0 cm3

Click to predict properties on the Chemicalize site


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