ChemSpider 2D Image | 1-(5-Fluoro-2-methoxybenzyl)-4-({1-[4-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)piperazine | C21H22F4N6O

1-(5-Fluoro-2-methoxybenzyl)-4-({1-[4-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)piperazine

  • Molecular FormulaC21H22F4N6O
  • Average mass450.433 Da
  • Monoisotopic mass450.179108 Da
  • ChemSpider ID48099621

More details:

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

1-(5-Fluor-2-methoxybenzyl)-4-({1-[4-(trifluormethyl)phenyl]-1H-tetrazol-5-yl}methyl)piperazin [German] [ACD/IUPAC Name]
1-(5-Fluoro-2-methoxybenzyl)-4-({1-[4-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl}methyl)piperazine [ACD/IUPAC Name]
1-(5-Fluoro-2-méthoxybenzyl)-4-({1-[4-(trifluorométhyl)phényl]-1H-tétrazol-5-yl}méthyl)pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-[[1-[4-(trifluoromethyl)phenyl]-1H-tetrazol-5-yl]methyl]- [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: 537.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 18.92
ACD/KOC (pH 5.5): 181.18
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 89.33
ACD/KOC (pH 7.4): 855.28
Polar Surface Area: 59 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 325.4±7.0 cm3

Click to predict properties on the Chemicalize site


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