ChemSpider 2D Image | 2-[(2,4-Difluorobenzyl)amino]-2-oxoethyl 4-(trifluoromethyl)benzoate | C17H12F5NO3

2-[(2,4-Difluorobenzyl)amino]-2-oxoethyl 4-(trifluoromethyl)benzoate

  • Molecular FormulaC17H12F5NO3
  • Average mass373.274 Da
  • Monoisotopic mass373.073730 Da
  • ChemSpider ID31094736

More details:

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

2-[(2,4-Difluorbenzyl)amino]-2-oxoethyl-4-(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
2-[(2,4-Difluorobenzyl)amino]-2-oxoethyl 4-(trifluoromethyl)benzoate [ACD/IUPAC Name]
4-(Trifluorométhyl)benzoate de 2-[(2,4-difluorobenzyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-(trifluoromethyl)-, 2-[[(2,4-difluorophenyl)methyl]amino]-2-oxoethyl 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: 517.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.6±30.1 °C
Index of Refraction: 1.510
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 435.63
ACD/KOC (pH 5.5): 2695.76
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 435.62
ACD/KOC (pH 7.4): 2695.74
Polar Surface Area: 55 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

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