ChemSpider 2D Image | 2-Isopropyl-5-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenol | C11H11F3N2O

2-Isopropyl-5-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenol

  • Molecular FormulaC11H11F3N2O
  • Average mass244.213 Da
  • Monoisotopic mass244.082352 Da
  • ChemSpider ID25030815

More details:






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

2-Isopropyl-5-[3-(trifluormethyl)-3H-diaziren-3-yl]phenol [German] [ACD/IUPAC Name]
2-Isopropyl-5-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenol [ACD/IUPAC Name]
2-Isopropyl-5-[3-(trifluorométhyl)-3H-diazirén-3-yl]phénol [French] [ACD/IUPAC Name]
Phenol, 2-(1-methylethyl)-5-[3-(trifluoromethyl)-3H-diazirin-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 289.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 128.6±30.1 °C
Index of Refraction: 1.538
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 359.45
ACD/KOC (pH 5.5): 2349.22
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 358.88
ACD/KOC (pH 7.4): 2345.54
Polar Surface Area: 45 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 34.7±7.0 dyne/cm
Molar Volume: 177.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement