ChemSpider 2D Image | 2-[(1S)-1-Amino-2,2,2-trifluoroethyl]-4-[(2-methyl-2-propanyl)oxy]phenol | C12H16F3NO2

2-[(1S)-1-Amino-2,2,2-trifluoroethyl]-4-[(2-methyl-2-propanyl)oxy]phenol

  • Molecular FormulaC12H16F3NO2
  • Average mass263.256 Da
  • Monoisotopic mass263.113312 Da
  • ChemSpider ID27465039
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2-[(1S)-1-Amino-2,2,2-trifluorethyl]-4-[(2-methyl-2-propanyl)oxy]phenol [German] [ACD/IUPAC Name]
2-[(1S)-1-Amino-2,2,2-trifluoroethyl]-4-[(2-methyl-2-propanyl)oxy]phenol [ACD/IUPAC Name]
2-[(1S)-1-Amino-2,2,2-trifluoroéthyl]-4-[(2-méthyl-2-propanyl)oxy]phénol [French] [ACD/IUPAC Name]
Phenol, 2-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-(1,1-dimethylethoxy)- [ACD/Index Name]
2-((1S)-1-AMINO-2,2,2-TRIFLUOROETHYL)-4-(TERT-BUTOXY)PHENOL
MFCD11010534

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

Density: 1.2±0.1 g/cm3
Boiling Point: 343.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 161.8±27.9 °C
Index of Refraction: 1.490
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.28
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 39.20
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.54
ACD/KOC (pH 7.4): 304.68
Polar Surface Area: 55 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 215.1±3.0 cm3

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