ChemSpider 2D Image | 1-Methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine | C16H16F3N3

1-Methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

  • Molecular FormulaC16H16F3N3
  • Average mass307.314 Da
  • Monoisotopic mass307.129639 Da
  • ChemSpider ID30312236

More details:

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

1H-1,4-Benzodiazepine, 2,3,4,5-tetrahydro-1-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
1-Methyl-4-[3-(trifluormethyl)-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin [German] [ACD/IUPAC Name]
1-Methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine [ACD/IUPAC Name]
1-Méthyl-4-[3-(trifluorométhyl)-2-pyridinyl]-2,3,4,5-tétrahydro-1H-1,4-benzodiazépine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 425.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 210.9±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 217.21
ACD/KOC (pH 5.5): 1133.93
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 766.98
ACD/KOC (pH 7.4): 4003.91
Polar Surface Area: 19 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 247.0±3.0 cm3

Click to predict properties on the Chemicalize site


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