ChemSpider 2D Image | 4-(Difluoromethoxy)-5-(trifluoromethyl)nicotinic acid | C8H4F5NO3

4-(Difluoromethoxy)-5-(trifluoromethyl)nicotinic acid

  • Molecular FormulaC8H4F5NO3
  • Average mass257.114 Da
  • Monoisotopic mass257.011139 Da
  • ChemSpider ID57335028

More details:

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

3-Pyridinecarboxylic acid, 4-(difluoromethoxy)-5-(trifluoromethyl)- [ACD/Index Name]
4-(Difluormethoxy)-5-(trifluormethyl)nicotinsäure [German] [ACD/IUPAC Name]
4-(Difluoromethoxy)-5-(trifluoromethyl)nicotinic acid [ACD/IUPAC Name]
Acide 4-(difluorométhoxy)-5-(trifluorométhyl)nicotinique [French] [ACD/IUPAC Name]
1803851-29-7 [RN]
4-Difluoromethoxy-5-(trifluoromethyl)nicotinic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 313.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 143.4±27.9 °C
Index of Refraction: 1.440
Molar Refractivity: 43.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 33.3±3.0 dyne/cm
Molar Volume: 164.0±3.0 cm3

Click to predict properties on the Chemicalize site


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