ChemSpider 2D Image | {4-[2-Fluoro-5-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanol | C18H17F4NO2

{4-[2-Fluoro-5-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanol

  • Molecular FormulaC18H17F4NO2
  • Average mass355.327 Da
  • Monoisotopic mass355.119537 Da
  • ChemSpider ID59706765

More details:

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

{4-[2-Fluor-5-(trifluormethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanol [German] [ACD/IUPAC Name]
{4-[2-Fluoro-5-(trifluoromethyl)benzyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methanol [ACD/IUPAC Name]
{4-[2-Fluoro-5-(trifluorométhyl)benzyl]-2,3,4,5-tétrahydro-1,4-benzoxazépin-7-yl}méthanol [French] [ACD/IUPAC Name]
1,4-Benzoxazepine-7-methanol, 4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrahydro- [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: 414.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.7±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 25.60
ACD/KOC (pH 5.5): 237.52
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 100.80
ACD/KOC (pH 7.4): 935.33
Polar Surface Area: 33 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 265.9±3.0 cm3

Click to predict properties on the Chemicalize site


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