ChemSpider 2D Image | (1E,4E)-5-Amino-6,6,6-trifluoro-1-(4-methoxyphenyl)-1,4-hexadien-3-one | C13H12F3NO2

(1E,4E)-5-Amino-6,6,6-trifluoro-1-(4-methoxyphenyl)-1,4-hexadien-3-one

  • Molecular FormulaC13H12F3NO2
  • Average mass271.235 Da
  • Monoisotopic mass271.082001 Da
  • ChemSpider ID62198381

  • Double-bond stereo - Double-bond stereo

More details:

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

(1E,4E)-5-Amino-6,6,6-trifluor-1-(4-methoxyphenyl)-1,4-hexadien-3-on [German] [ACD/IUPAC Name]
(1E,4E)-5-Amino-6,6,6-trifluoro-1-(4-methoxyphenyl)-1,4-hexadien-3-one [ACD/IUPAC Name]
(1E,4E)-5-Amino-6,6,6-trifluoro-1-(4-méthoxyphényl)-1,4-hexadién-3-one [French] [ACD/IUPAC Name]
1,4-Hexadien-3-one, 5-amino-6,6,6-trifluoro-1-(4-methoxyphenyl)-, (1E,4E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 388.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 188.6±27.9 °C
Index of Refraction: 1.534
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 233.10
ACD/KOC (pH 5.5): 1723.00
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 233.10
ACD/KOC (pH 7.4): 1723.06
Polar Surface Area: 52 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 214.5±3.0 cm3

Click to predict properties on the Chemicalize site


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