ChemSpider 2D Image | 7-Fluoro-6-({[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinolinone | C16H11F4N3O2S

7-Fluoro-6-({[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinolinone

  • Molecular FormulaC16H11F4N3O2S
  • Average mass385.336 Da
  • Monoisotopic mass385.050812 Da
  • ChemSpider ID30077303

More details:

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

2(1H)-Quinolinone, 7-fluoro-3,4-dihydro-6-[2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetyl]- [ACD/Index Name]
7-Fluor-6-({[4-(trifluormethyl)-2-pyrimidinyl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-chinolinon [German] [ACD/IUPAC Name]
7-Fluoro-6-({[4-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetyl)-3,4-dihydro-2(1H)-quinolinone [ACD/IUPAC Name]
7-Fluoro-6-(2-{[4-(trifluorométhyl)-2-pyrimidinyl]sulfanyl}acétyl)-3,4-dihydro-2(1H)-quinoléinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 566.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 296.3±30.1 °C
Index of Refraction: 1.598
Molar Refractivity: 85.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.06
ACD/KOC (pH 5.5): 947.31
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 101.06
ACD/KOC (pH 7.4): 947.31
Polar Surface Area: 97 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 249.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement