ChemSpider 2D Image | 4,4-Difluoro-2-({[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)butanoic acid | C14H10F6N4O3

4,4-Difluoro-2-({[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)butanoic acid

  • Molecular FormulaC14H10F6N4O3
  • Average mass396.245 Da
  • Monoisotopic mass396.065704 Da
  • ChemSpider ID58057783

More details:

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

4,4-Difluor-2-({[1-(3-fluorphenyl)-5-(trifluormethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
4,4-Difluoro-2-({[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
Acide 4,4-difluoro-2-({[1-(3-fluorophényl)-5-(trifluorométhyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4,4-difluoro-2-[[[1-(3-fluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]carbonyl]amino]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.557
Molar Refractivity: 77.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 240.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement