ChemSpider 2D Image | 4-[(E)-2-(2-Acetamido-4-pyridinyl)vinyl]phenyl 3,5-bis(trifluoromethyl)benzoate | C24H16F6N2O3

4-[(E)-2-(2-Acetamido-4-pyridinyl)vinyl]phenyl 3,5-bis(trifluoromethyl)benzoate

  • Molecular FormulaC24H16F6N2O3
  • Average mass494.386 Da
  • Monoisotopic mass494.106506 Da
  • ChemSpider ID32382782

  • Double-bond stereo - Double-bond stereo

More details:

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

3,5-Bis(trifluorométhyl)benzoate de 4-[(E)-2-(2-acétamido-4-pyridinyl)vinyl]phényle [French] [ACD/IUPAC Name]
4-[(E)-2-(2-Acetamido-4-pyridinyl)vinyl]phenyl 3,5-bis(trifluoromethyl)benzoate [ACD/IUPAC Name]
4-[(E)-2-(2-Acetamido-4-pyridinyl)vinyl]phenyl-3,5-bis(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(trifluoromethyl)-, 4-[(E)-2-[2-(acetylamino)-4-pyridinyl]ethenyl]phenyl ester [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: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.588
Molar Refractivity: 117.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 20884.99
ACD/KOC (pH 5.5): 40895.61
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 24907.87
ACD/KOC (pH 7.4): 48772.95
Polar Surface Area: 68 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 349.4±3.0 cm3

Click to predict properties on the Chemicalize site


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