ChemSpider 2D Image | 1-(2,1,3-Benzoxadiazol-5-yl)-N-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)methanamine | C18H14F3N5O2

1-(2,1,3-Benzoxadiazol-5-yl)-N-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)methanamine

  • Molecular FormulaC18H14F3N5O2
  • Average mass389.331 Da
  • Monoisotopic mass389.109955 Da
  • ChemSpider ID22228991

More details:

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

1-(2,1,3-Benzoxadiazol-5-yl)-N-methyl-N-({3-[4-(trifluormethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)methanamin [German] [ACD/IUPAC Name]
1-(2,1,3-Benzoxadiazol-5-yl)-N-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)methanamine [ACD/IUPAC Name]
1-(2,1,3-Benzoxadiazol-5-yl)-N-méthyl-N-({3-[4-(trifluorométhyl)phényl]-1,2,4-oxadiazol-5-yl}méthyl)méthanamine [French] [ACD/IUPAC Name]
2,1,3-Benzoxadiazole-5-methanamine, N-methyl-N-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]- [ACD/Index Name]
(2,1,3-benzoxadiazol-5-ylmethyl)methyl({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 476.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 242.1±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 370.09
ACD/KOC (pH 5.5): 2350.67
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 397.08
ACD/KOC (pH 7.4): 2522.11
Polar Surface Area: 81 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 278.1±3.0 cm3

Click to predict properties on the Chemicalize site


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