ChemSpider 2D Image | 2-({2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-6-(trifluoromethyl)-4(1H)-pyrimidinone | C14H9F5N2O3S

2-({2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-6-(trifluoromethyl)-4(1H)-pyrimidinone

  • Molecular FormulaC14H9F5N2O3S
  • Average mass380.290 Da
  • Monoisotopic mass380.025391 Da
  • ChemSpider ID32024294

More details:

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

2-({2-[4-(Difluormethoxy)phenyl]-2-oxoethyl}sulfanyl)-6-(trifluormethyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-({2-[4-(Difluoromethoxy)phenyl]-2-oxoethyl}sulfanyl)-6-(trifluoromethyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-({2-[4-(Difluorométhoxy)phényl]-2-oxoéthyl}sulfanyl)-6-(trifluorométhyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
Ethanone, 1-[4-(difluoromethoxy)phenyl]-2-[[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]thio]- [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: 506.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 260.3±30.1 °C
Index of Refraction: 1.557
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 88.92
ACD/KOC (pH 5.5): 671.33
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 16.76
Polar Surface Area: 98 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 241.0±5.0 cm3

Click to predict properties on the Chemicalize site


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