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Search term: LPIMMTVSTRQEMO-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(4-{5-(Methylsulfonyl)-2-[(1,1,1-trifluoro-2-propanyl)oxy]benzoyl}-1-piperazinyl)benzonitrile | C22H22F3N3O4S

4-(4-{5-(Methylsulfonyl)-2-[(1,1,1-trifluoro-2-propanyl)oxy]benzoyl}-1-piperazinyl)benzonitrile

  • Molecular FormulaC22H22F3N3O4S
  • Average mass481.488 Da
  • Monoisotopic mass481.128296 Da
  • ChemSpider ID25035974

More details:

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

4-(4-{5-(Methylsulfonyl)-2-[(1,1,1-trifluor-2-propanyl)oxy]benzoyl}-1-piperazinyl)benzonitril [German] [ACD/IUPAC Name]
4-(4-{5-(Methylsulfonyl)-2-[(1,1,1-trifluoro-2-propanyl)oxy]benzoyl}-1-piperazinyl)benzonitrile [ACD/IUPAC Name]
4-(4-{5-(Méthylsulfonyl)-2-[(1,1,1-trifluoro-2-propanyl)oxy]benzoyl}-1-pipérazinyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[4-[5-(methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 689.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.0±3.0 kJ/mol
Flash Point: 370.7±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.70
ACD/KOC (pH 5.5): 413.11
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.70
ACD/KOC (pH 7.4): 413.16
Polar Surface Area: 99 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 337.6±5.0 cm3

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