Found 30 results

Search term: MF = 'C_{14}H_{9}F_{6}NO_{3}'
ChemSpider 2D Image | 2-Oxo-2-(2-propyn-1-ylamino)ethyl 3,5-bis(trifluoromethyl)benzoate | C14H9F6NO3

2-Oxo-2-(2-propyn-1-ylamino)ethyl 3,5-bis(trifluoromethyl)benzoate

  • Molecular FormulaC14H9F6NO3
  • Average mass353.217 Da
  • Monoisotopic mass353.048676 Da
  • ChemSpider ID22313150

More details:

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

2-Oxo-2-(2-propin-1-ylamino)ethyl-3,5-bis(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
2-Oxo-2-(2-propyn-1-ylamino)ethyl 3,5-bis(trifluoromethyl)benzoate [ACD/IUPAC Name]
3,5-Bis(trifluorométhyl)benzoate de 2-oxo-2-(2-propyn-1-ylamino)éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(trifluoromethyl)-, 2-oxo-2-(2-propyn-1-ylamino)ethyl 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: 424.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.7±28.7 °C
Index of Refraction: 1.456
Molar Refractivity: 68.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 189.87
ACD/KOC (pH 5.5): 1487.75
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 189.87
ACD/KOC (pH 7.4): 1487.72
Polar Surface Area: 55 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 250.1±3.0 cm3

Click to predict properties on the Chemicalize site


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