ChemSpider 2D Image | 1-[4-(Difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanone | C9H4F6O

1-[4-(Difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanone

  • Molecular FormulaC9H4F6O
  • Average mass242.118 Da
  • Monoisotopic mass242.016632 Da
  • ChemSpider ID48088431

More details:

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

1-[4-(Difluormethyl)-3-fluorphenyl]-2,2,2-trifluorethanon [German] [ACD/IUPAC Name]
1-[4-(Difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoroethanone [ACD/IUPAC Name]
1-[4-(Difluorométhyl)-3-fluorophényl]-2,2,2-trifluoroéthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(difluoromethyl)-3-fluorophenyl]-2,2,2-trifluoro- [ACD/Index Name]
1417459-94-9 [RN]
MFCD22688428

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

Density: 1.4±0.1 g/cm3
Boiling Point: 226.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 85.4±20.1 °C
Index of Refraction: 1.410
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.79
ACD/KOC (pH 5.5): 835.48
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.79
ACD/KOC (pH 7.4): 835.48
Polar Surface Area: 17 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 24.6±3.0 dyne/cm
Molar Volume: 169.5±3.0 cm3

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