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Search term: BDLBQEJTZWWSND (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[1-(4-Fluorophenyl)cyclopropyl]-4-isopropyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole | C21H19F4N3O

3-[1-(4-Fluorophenyl)cyclopropyl]-4-isopropyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole

  • Molecular FormulaC21H19F4N3O
  • Average mass405.389 Da
  • Monoisotopic mass405.146423 Da
  • ChemSpider ID24697980

More details:

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

3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole
3-[1-(4-Fluorophenyl)cyclopropyl]-4-isopropyl-5-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazole [ACD/IUPAC Name]
3-[1-(4-Fluorophényl)cyclopropyl]-4-isopropyl-5-[4-(trifluorométhoxy)phényl]-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
3-[1-(4-Fluorphenyl)cyclopropyl]-4-isopropyl-5-[4-(trifluormethoxy)phenyl]-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole, 3-[1-(4-fluorophenyl)cyclopropyl]-4-(1-methylethyl)-5-[4-(trifluoromethoxy)phenyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL476142/
T30

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

Density: 1.3±0.1 g/cm3
Boiling Point: 483.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 246.1±31.5 °C
Index of Refraction: 1.578
Molar Refractivity: 100.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7643.29
ACD/KOC (pH 5.5): 20947.11
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7650.55
ACD/KOC (pH 7.4): 20967.01
Polar Surface Area: 40 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 303.7±7.0 cm3

Click to predict properties on the Chemicalize site


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