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Search term: XWUWFTNLBIWYTM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Fluoro-4-{4-[5-(methylsulfonyl)-2-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl}benzonitrile | C21H19F4N3O4S

3-Fluoro-4-{4-[5-(methylsulfonyl)-2-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl}benzonitrile

  • Molecular FormulaC21H19F4N3O4S
  • Average mass485.452 Da
  • Monoisotopic mass485.103241 Da
  • ChemSpider ID25053001

More details:

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

3-Fluor-4-{4-[5-(methylsulfonyl)-2-(2,2,2-trifluorethoxy)benzoyl]-1-piperazinyl}benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-4-{4-[5-(methylsulfonyl)-2-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl}benzonitrile [ACD/IUPAC Name]
3-Fluoro-4-{4-[5-(méthylsulfonyl)-2-(2,2,2-trifluoroéthoxy)benzoyl]-1-pipérazinyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-4-[4-[5-(methylsulfonyl)-2-(2,2,2-trifluoroethoxy)benzoyl]-1-piperazinyl]- [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: 681.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.1±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.89
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.39
ACD/KOC (pH 5.5): 311.72
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.39
ACD/KOC (pH 7.4): 311.72
Polar Surface Area: 99 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 325.3±5.0 cm3

Click to predict properties on the Chemicalize site


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