ChemSpider 2D Image | TCMDC-131446 | C20H24F3NO

TCMDC-131446

  • Molecular FormulaC20H24F3NO
  • Average mass351.406 Da
  • Monoisotopic mass351.181000 Da
  • ChemSpider ID24571446

More details:

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

2-{[4-(4-Methylphenyl)-2-butanyl]amino}-1-[3-(trifluormethyl)phenyl]ethanol [German] [ACD/IUPAC Name]
2-{[4-(4-Methylphenyl)-2-butanyl]amino}-1-[3-(trifluoromethyl)phenyl]ethanol [ACD/IUPAC Name]
2-{[4-(4-Méthylphényl)-2-butanyl]amino}-1-[3-(trifluorométhyl)phényl]éthanol [French] [ACD/IUPAC Name]
2-{[4-(4-Methylphenyl)butan-2-yl]amino}-1-[3-(trifluoromethyl)phenyl]ethanol
Benzenemethanol, α-[[[1-methyl-3-(4-methylphenyl)propyl]amino]methyl]-3-(trifluoromethyl)- [ACD/Index Name]
TCMDC-131446
  • Miscellaneous

    • Bio Activity:

      XC50_3D7 (uM) (Plasmodium Falciparum, Malaria): 0.561233318 GlaxoSmithKline Malaria Set

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 204.1±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 8.03
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 32.64
ACD/KOC (pH 7.4): 130.43
Polar Surface Area: 32 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 306.2±3.0 cm3

Click to predict properties on the Chemicalize site


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