ChemSpider 2D Image | Methyl 2-iodo-3-{[4-(trifluoromethoxy)benzyl]amino}propanoate | C12H13F3INO3

Methyl 2-iodo-3-{[4-(trifluoromethoxy)benzyl]amino}propanoate

  • Molecular FormulaC12H13F3INO3
  • Average mass403.136 Da
  • Monoisotopic mass402.989227 Da
  • ChemSpider ID52716554

More details:

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

2-Iodo-3-{[4-(trifluorométhoxy)benzyl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-iodo-3-{[4-(trifluoromethoxy)benzyl]amino}propanoate [ACD/IUPAC Name]
Methyl-2-iod-3-{[4-(trifluormethoxy)benzyl]amino}propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 2-iodo-3-[[[4-(trifluoromethoxy)phenyl]methyl]amino]-, methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 372.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.2±27.9 °C
Index of Refraction: 1.529
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 23.44
ACD/KOC (pH 5.5): 192.11
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 150.75
ACD/KOC (pH 7.4): 1235.69
Polar Surface Area: 48 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 243.7±3.0 cm3

Click to predict properties on the Chemicalize site


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