ChemSpider 2D Image | (4-Fluorophenyl)[7-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methanone | C18H12F7NO2S

(4-Fluorophenyl)[7-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methanone

  • Molecular FormulaC18H12F7NO2S
  • Average mass439.347 Da
  • Monoisotopic mass439.047699 Da
  • ChemSpider ID90628791

More details:

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

(4-Fluorophenyl)[7-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methanone [ACD/IUPAC Name]
(4-Fluorophényl)[7-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]méthanone [French] [ACD/IUPAC Name]
(4-Fluorphenyl)[7-(1,1,1,3,3,3-hexafluor-2-hydroxy-2-propanyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [2,3-dihydro-7-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4H-1,4-benzothiazin-4-yl](4-fluorophenyl)- [ACD/Index 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: 507.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.6±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 91.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.93
ACD/KOC (pH 5.5): 3385.11
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 572.16
ACD/KOC (pH 7.4): 3233.81
Polar Surface Area: 66 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 288.5±3.0 cm3

Click to predict properties on the Chemicalize site


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