ChemSpider 2D Image | 2-{(2-Methylbenzo[cd]indol-6-yl)[3-(trifluoromethyl)phenyl]amino}decanoic acid | C29H31F3N2O2

2-{(2-Methylbenzo[cd]indol-6-yl)[3-(trifluoromethyl)phenyl]amino}decanoic acid

  • Molecular FormulaC29H31F3N2O2
  • Average mass496.564 Da
  • Monoisotopic mass496.233765 Da
  • ChemSpider ID102758990

More details:

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

2-{(2-Methylbenzo[cd]indol-6-yl)[3-(trifluormethyl)phenyl]amino}decansäure [German] [ACD/IUPAC Name]
2-{(2-Methylbenzo[cd]indol-6-yl)[3-(trifluoromethyl)phenyl]amino}decanoic acid [ACD/IUPAC Name]
Acide 2-{(2-méthylbenzo[cd]indol-6-yl)[3-(trifluorométhyl)phényl]amino}décanoïque [French] [ACD/IUPAC Name]
Decanoic acid, 2-[(2-methylbenz[cd]indol-6-yl)[3-(trifluoromethyl)phenyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 630.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.2±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 134.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 8.17
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 67736.30
ACD/KOC (pH 5.5): 43031.90
ACD/LogD (pH 7.4): 5.34
ACD/BCF (pH 7.4): 1262.81
ACD/KOC (pH 7.4): 802.25
Polar Surface Area: 53 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

Click to predict properties on the Chemicalize site


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