ChemSpider 2D Image | TCMDC-125884 | C10H6F3NO4

TCMDC-125884

  • Molecular FormulaC10H6F3NO4
  • Average mass261.154 Da
  • Monoisotopic mass261.024902 Da
  • ChemSpider ID24331433

More details:

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

1,3-Butanedione, 4,4,4-trifluoro-1-(2-nitrophenyl)- [ACD/Index Name]
4,4,4-Trifluor-1-(2-nitrophenyl)-1,3-butandion [German] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-(2-nitrophenyl)-1,3-butanedione [ACD/IUPAC Name]
4,4,4-Trifluoro-1-(2-nitrophényl)-1,3-butanedione [French] [ACD/IUPAC Name]
4,4,4-Trifluoro-1-(2-nitrophenyl)butane-1,3-dione
TCMDC-125884
35999-52-1 [RN]
MFCD11542787
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.0032 GlaxoSmithKline Malaria Set

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

Density: 1.5±0.1 g/cm3
Boiling Point: 333.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.7±26.5 °C
Index of Refraction: 1.498
Molar Refractivity: 52.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 26.09
ACD/KOC (pH 5.5): 279.01
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.99
Polar Surface Area: 80 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 179.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement