ChemSpider 2D Image | [3-(Isobutylsulfonyl)-1-azetidinyl][2-(trifluoromethyl)phenyl]methanone | C15H18F3NO3S

[3-(Isobutylsulfonyl)-1-azetidinyl][2-(trifluoromethyl)phenyl]methanone

  • Molecular FormulaC15H18F3NO3S
  • Average mass349.368 Da
  • Monoisotopic mass349.095947 Da
  • ChemSpider ID30764102

More details:

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

[3-(Isobutylsulfonyl)-1-azetidinyl][2-(trifluormethyl)phenyl]methanon [German] [ACD/IUPAC Name]
[3-(Isobutylsulfonyl)-1-azetidinyl][2-(trifluoromethyl)phenyl]methanone [ACD/IUPAC Name]
[3-(Isobutylsulfonyl)-1-azétidinyl][2-(trifluorométhyl)phényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[(2-methylpropyl)sulfonyl]-1-azetidinyl][2-(trifluoromethyl)phenyl]- [ACD/Index Name]
(3-(isobutylsulfonyl)azetidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
1797018-01-9 [RN]
3-(2-methylpropanesulfonyl)-1-[2-(trifluoromethyl)benzoyl]azetidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 502.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 257.5±30.1 °C
Index of Refraction: 1.528
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.26
ACD/KOC (pH 5.5): 171.23
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.26
ACD/KOC (pH 7.4): 171.23
Polar Surface Area: 63 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 258.3±5.0 cm3

Click to predict properties on the Chemicalize site


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