ChemSpider 2D Image | 2',5'-Dimethoxy-3-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-4-biphenylol | C26H27F3N2O3

2',5'-Dimethoxy-3-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-4-biphenylol

  • Molecular FormulaC26H27F3N2O3
  • Average mass472.499 Da
  • Monoisotopic mass472.197388 Da
  • ChemSpider ID22130923

More details:

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

[1,1'-Biphenyl]-4-ol, 2',5'-dimethoxy-3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]- [ACD/Index Name]
2',5'-Dimethoxy-3-({4-[3-(trifluormethyl)phenyl]-1-piperazinyl}methyl)-4-biphenylol [German] [ACD/IUPAC Name]
2',5'-Dimethoxy-3-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}methyl)-4-biphenylol [ACD/IUPAC Name]
2',5'-Diméthoxy-3-({4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}méthyl)-4-biphénylol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 549.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 286.0±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 124.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1748.60
ACD/KOC (pH 5.5): 7044.16
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1955.51
ACD/KOC (pH 7.4): 7877.67
Polar Surface Area: 45 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 376.3±3.0 cm3

Click to predict properties on the Chemicalize site


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