ChemSpider 2D Image | [3,5-Bis(trifluoromethyl)phenyl]{3-[3-(1H-tetrazol-1-yl)phenoxy]-1-azetidinyl}methanone | C19H13F6N5O2

[3,5-Bis(trifluoromethyl)phenyl]{3-[3-(1H-tetrazol-1-yl)phenoxy]-1-azetidinyl}methanone

  • Molecular FormulaC19H13F6N5O2
  • Average mass457.329 Da
  • Monoisotopic mass457.097351 Da
  • ChemSpider ID123106959

More details:

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

[3,5-Bis(trifluormethyl)phenyl]{3-[3-(1H-tetrazol-1-yl)phenoxy]-1-azetidinyl}methanon [German] [ACD/IUPAC Name]
[3,5-Bis(trifluoromethyl)phenyl]{3-[3-(1H-tetrazol-1-yl)phenoxy]-1-azetidinyl}methanone [ACD/IUPAC Name]
[3,5-Bis(trifluorométhyl)phényl]{3-[3-(1H-tétrazol-1-yl)phénoxy]-1-azétidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [3,5-bis(trifluoromethyl)phenyl][3-[3-(1H-tetrazol-1-yl)phenoxy]-1-azetidinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 545.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.8±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 99.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 159.00
ACD/KOC (pH 5.5): 1310.30
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 159.00
ACD/KOC (pH 7.4): 1310.31
Polar Surface Area: 73 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 44.1±7.0 dyne/cm
Molar Volume: 291.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement