ChemSpider 2D Image | (2R)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide | C17H10F8N2O5

(2R)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide

  • Molecular FormulaC17H10F8N2O5
  • Average mass474.259 Da
  • Monoisotopic mass474.046204 Da
  • ChemSpider ID24695258

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluormethyl)phenyl]-3-(pentafluorphenoxy)propanamid [German] [ACD/IUPAC Name]
(2R)-2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide [ACD/IUPAC Name]
(2R)-2-Hydroxy-2-méthyl-N-[4-nitro-3-(trifluorométhyl)phényl]-3-(pentafluorophénoxy)propanamide [French] [ACD/IUPAC Name]
Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(2,3,4,5,6-pentafluorophenoxy)-, (2R)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL469965/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 556.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.5±30.1 °C
Index of Refraction: 1.531
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 975.61
ACD/KOC (pH 5.5): 4800.93
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 975.59
ACD/KOC (pH 7.4): 4800.80
Polar Surface Area: 104 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 287.9±3.0 cm3

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