ChemSpider 2D Image | (2R)-1-[(2-Methyl-2-propanyl)amino]-3-{4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy}-2-propanol | C17H22F3N3O2

(2R)-1-[(2-Methyl-2-propanyl)amino]-3-{4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy}-2-propanol

  • Molecular FormulaC17H22F3N3O2
  • Average mass357.371 Da
  • Monoisotopic mass357.166412 Da
  • ChemSpider ID34242912
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-1-[(2-Methyl-2-propanyl)amino]-3-{4-[5-(trifluormethyl)-1H-imidazol-2-yl]phenoxy}-2-propanol [German] [ACD/IUPAC Name]
(2R)-1-[(2-Methyl-2-propanyl)amino]-3-{4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy}-2-propanol [ACD/IUPAC Name]
(2R)-1-[(2-Méthyl-2-propanyl)amino]-3-{4-[5-(trifluorométhyl)-1H-imidazol-2-yl]phénoxy}-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]-, (2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 542.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.0±30.1 °C
Index of Refraction: 1.519
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 70 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 289.6±3.0 cm3

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