ChemSpider 2D Image | 5-[3-Fluoro-4-(trifluoromethoxy)phenyl]-5-oxopentanoic acid | C12H10F4O4

5-[3-Fluoro-4-(trifluoromethoxy)phenyl]-5-oxopentanoic acid

  • Molecular FormulaC12H10F4O4
  • Average mass294.199 Da
  • Monoisotopic mass294.051514 Da
  • ChemSpider ID35331057

More details:

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

5-[3-Fluor-4-(trifluormethoxy)phenyl]-5-oxopentansäure [German] [ACD/IUPAC Name]
5-[3-Fluoro-4-(trifluoromethoxy)phenyl]-5-oxopentanoic acid [ACD/IUPAC Name]
Acide 5-[3-fluoro-4-(trifluorométhoxy)phényl]-5-oxopentanoïque [French] [ACD/IUPAC Name]
Benzenepentanoic acid, 3-fluoro-δ-oxo-4-(trifluoromethoxy)- [ACD/Index Name]
1443311-35-0 [RN]
5-(3-Fluoro-4-(trifluoromethoxy)phenyl)-5-oxopentanoic acid
5-[3-Fluoro-4-(trifluoromethoxy)phenyl]-5-oxovaleric acid
atoms 20 bonds 20
MFCD23143080

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

Density: 1.4±0.1 g/cm3
Boiling Point: 407.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 200.1±28.7 °C
Index of Refraction: 1.473
Molar Refractivity: 58.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 3.36
ACD/KOC (pH 5.5): 43.76
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 209.7±3.0 cm3

Click to predict properties on the Chemicalize site


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