ChemSpider 2D Image | 3-({3-[4-(Trifluoromethyl)benzoyl]-1-piperidinyl}carbonyl)-2H-chromen-2-one | C23H18F3NO4

3-({3-[4-(Trifluoromethyl)benzoyl]-1-piperidinyl}carbonyl)-2H-chromen-2-one

  • Molecular FormulaC23H18F3NO4
  • Average mass429.388 Da
  • Monoisotopic mass429.118805 Da
  • ChemSpider ID22195927

More details:

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

2H-1-Benzopyran-2-one, 3-[[3-[4-(trifluoromethyl)benzoyl]-1-piperidinyl]carbonyl]- [ACD/Index Name]
3-({3-[4-(Trifluormethyl)benzoyl]-1-piperidinyl}carbonyl)-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-({3-[4-(Trifluoromethyl)benzoyl]-1-piperidinyl}carbonyl)-2H-chromen-2-one [ACD/IUPAC Name]
3-({3-[4-(Trifluorométhyl)benzoyl]-1-pipéridinyl}carbonyl)-2H-chromén-2-one [French] [ACD/IUPAC Name]
3-{3-[4-(TRIFLUOROMETHYL)BENZOYL]PIPERIDINE-1-CARBONYL}-2H-CHROMEN-2-ONE
3-{3-[4-(TRIFLUOROMETHYL)BENZOYL]PIPERIDINE-1-CARBONYL}CHROMEN-2-ONE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 631.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.7±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 272.23
ACD/KOC (pH 5.5): 1925.44
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 272.23
ACD/KOC (pH 7.4): 1925.44
Polar Surface Area: 64 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 310.4±3.0 cm3

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