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Search term: DNKZFLTXVLRLEB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1,1,1-Trifluoro-3-[(3-fluorobenzyl)(methyl)amino]-2-propanol | C11H13F4NO

1,1,1-Trifluoro-3-[(3-fluorobenzyl)(methyl)amino]-2-propanol

  • Molecular FormulaC11H13F4NO
  • Average mass251.221 Da
  • Monoisotopic mass251.093323 Da
  • ChemSpider ID44538092

More details:

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

1,1,1-Trifluor-3-[(3-fluorbenzyl)(methyl)amino]-2-propanol [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-3-[(3-fluorobenzyl)(methyl)amino]-2-propanol [ACD/IUPAC Name]
1,1,1-Trifluoro-3-[(3-fluorobenzyl)(méthyl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1,1,1-trifluoro-3-[[(3-fluorophenyl)methyl]methylamino]- [ACD/Index 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: 280.6±35.0 °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: 123.5±25.9 °C
Index of Refraction: 1.473
Molar Refractivity: 55.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 43.33
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 63.25
ACD/KOC (pH 7.4): 640.62
Polar Surface Area: 23 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 197.5±3.0 cm3

Click to predict properties on the Chemicalize site


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