ChemSpider 2D Image | 1-(3,4-Difluoro-5-methoxyphenyl)-3-methyl-1-butanone | C12H14F2O2

1-(3,4-Difluoro-5-methoxyphenyl)-3-methyl-1-butanone

  • Molecular FormulaC12H14F2O2
  • Average mass228.235 Da
  • Monoisotopic mass228.096191 Da
  • ChemSpider ID35328046

More details:

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

1-(3,4-Difluor-5-methoxyphenyl)-3-methyl-1-butanon [German] [ACD/IUPAC Name]
1-(3,4-Difluoro-5-methoxyphenyl)-3-methyl-1-butanone [ACD/IUPAC Name]
1-(3,4-Difluoro-5-méthoxyphényl)-3-méthyl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-(3,4-difluoro-5-methoxyphenyl)-3-methyl- [ACD/Index Name]
1443344-10-2 [RN]
3',4'-Difluoro-5'-methoxy-3-methylbutyrophenone
atoms 16 bonds 16
MFCD22370278

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

Density: 1.1±0.1 g/cm3
Boiling Point: 286.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.5±3.0 kJ/mol
Flash Point: 123.0±20.8 °C
Index of Refraction: 1.471
Molar Refractivity: 56.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 106.77
ACD/KOC (pH 5.5): 985.31
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 106.77
ACD/KOC (pH 7.4): 985.31
Polar Surface Area: 26 Å2
Polarizability: 22.5±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 203.3±3.0 cm3

Click to predict properties on the Chemicalize site


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