ChemSpider 2D Image | N-(3-Fluorobenzyl)-3-(trifluoromethoxy)-1-propanamine | C11H13F4NO

N-(3-Fluorobenzyl)-3-(trifluoromethoxy)-1-propanamine

  • Molecular FormulaC11H13F4NO
  • Average mass251.221 Da
  • Monoisotopic mass251.093323 Da
  • ChemSpider ID28421155

More details:

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

Benzenemethanamine, 3-fluoro-N-[3-(trifluoromethoxy)propyl]- [ACD/Index Name]
N-(3-Fluorbenzyl)-3-(trifluormethoxy)-1-propanamin [German] [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-3-(trifluoromethoxy)-1-propanamine [ACD/IUPAC Name]
N-(3-Fluorobenzyl)-3-(trifluorométhoxy)-1-propanamine [French] [ACD/IUPAC Name]
(3-Fluoro-benzyl)-(3-trifluoromethoxy-propyl)-amine
[(3-fluorophenyl)methyl][3-(trifluoromethoxy)propyl]amine
1208079-71-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 238.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 97.8±27.3 °C
Index of Refraction: 1.447
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.43
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 55.59
Polar Surface Area: 21 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 29.0±3.0 dyne/cm
Molar Volume: 207.6±3.0 cm3

Click to predict properties on the Chemicalize site


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