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Search term: LEGAZLSAICXZQD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[3,3-Bis(trifluoromethyl)-1-pyrrolidinyl]-4-(5-phenyl-2H-tetrazol-2-yl)-1-butanone | C17H17F6N5O

1-[3,3-Bis(trifluoromethyl)-1-pyrrolidinyl]-4-(5-phenyl-2H-tetrazol-2-yl)-1-butanone

  • Molecular FormulaC17H17F6N5O
  • Average mass421.340 Da
  • Monoisotopic mass421.133728 Da
  • ChemSpider ID32010485

More details:

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

1-[3,3-Bis(trifluormethyl)-1-pyrrolidinyl]-4-(5-phenyl-2H-tetrazol-2-yl)-1-butanon [German] [ACD/IUPAC Name]
1-[3,3-Bis(trifluoromethyl)-1-pyrrolidinyl]-4-(5-phenyl-2H-tetrazol-2-yl)-1-butanone [ACD/IUPAC Name]
1-[3,3-Bis(trifluorométhyl)-1-pyrrolidinyl]-4-(5-phényl-2H-tétrazol-2-yl)-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[3,3-bis(trifluoromethyl)-1-pyrrolidinyl]-4-(5-phenyl-2H-tetrazol-2-yl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 498.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.1±31.5 °C
Index of Refraction: 1.554
Molar Refractivity: 92.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 183.87
ACD/KOC (pH 5.5): 1453.94
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 183.88
ACD/KOC (pH 7.4): 1454.01
Polar Surface Area: 64 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 287.1±7.0 cm3

Click to predict properties on the Chemicalize site


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