ChemSpider 2D Image | 3-[2-Fluoro-4-(trifluoromethoxy)phenyl]propanoic acid | C10H8F4O3

3-[2-Fluoro-4-(trifluoromethoxy)phenyl]propanoic acid

  • Molecular FormulaC10H8F4O3
  • Average mass252.162 Da
  • Monoisotopic mass252.040955 Da
  • ChemSpider ID24600118

More details:

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

1240257-16-2 [RN]
2-Fluoro-4-(trifluoromethoxy)benzenepropanoic acid
3-[2-Fluor-4-(trifluormethoxy)phenyl]propansäure [German] [ACD/IUPAC Name]
3-[2-Fluoro-4-(trifluoromethoxy)phenyl]propanoic acid [ACD/IUPAC Name]
3-[2-Fluoro-4-(trifluoromethoxy)phenyl]propionic acid [ACD/IUPAC Name]
Acide 3-[2-fluoro-4-(trifluorométhoxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2-fluoro-4-(trifluoromethoxy)- [ACD/Index Name]
QV2R BF DOXFFF [WLN]
3-(2-Fluoro-4-(trifluoromethoxy)phenyl)propanoic acid
3-(2-fluoro-4-(trifluoromethoxy)phenyl)propionic acid
More...
  • Miscellaneous

    • Safety:

      26-37-60 Alfa Aesar H34201
      36/37/38 Alfa Aesar H34201
      H315-H319-H335 Alfa Aesar H34201
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H34201
      Warning Alfa Aesar H34201

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

Density: 1.4±0.1 g/cm3
Boiling Point: 265.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 114.5±25.9 °C
Index of Refraction: 1.464
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.57
ACD/KOC (pH 5.5): 78.10
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 47 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 178.0±3.0 cm3

Click to predict properties on the Chemicalize site


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