ChemSpider 2D Image | 3-(3-Chloro-4-fluorophenyl)-1-[3-(difluoromethyl)-1-azetidinyl]-1-propanone | C13H13ClF3NO

3-(3-Chloro-4-fluorophenyl)-1-[3-(difluoromethyl)-1-azetidinyl]-1-propanone

  • Molecular FormulaC13H13ClF3NO
  • Average mass291.697 Da
  • Monoisotopic mass291.063782 Da
  • ChemSpider ID58279683

More details:

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

1-Propanone, 3-(3-chloro-4-fluorophenyl)-1-[3-(difluoromethyl)-1-azetidinyl]- [ACD/Index Name]
3-(3-Chlor-4-fluorphenyl)-1-[3-(difluormethyl)-1-azetidinyl]-1-propanon [German] [ACD/IUPAC Name]
3-(3-Chloro-4-fluorophenyl)-1-[3-(difluoromethyl)-1-azetidinyl]-1-propanone [ACD/IUPAC Name]
3-(3-Chloro-4-fluorophényl)-1-[3-(difluorométhyl)-1-azétidinyl]-1-propanone [French] [ACD/IUPAC Name]
2309705-81-3 [RN]
3-(3-chloro-4-fluorophenyl)-1-(3-(difluoromethyl)azetidin-1-yl)propan-1-one
3-(3-chloro-4-fluorophenyl)-1-[3-(difluoromethyl)azetidin-1-yl]propan-1-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 404.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.7±28.7 °C
Index of Refraction: 1.517
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 149.38
ACD/KOC (pH 5.5): 1253.07
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 149.38
ACD/KOC (pH 7.4): 1253.07
Polar Surface Area: 20 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 216.7±3.0 cm3

Click to predict properties on the Chemicalize site


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