ChemSpider 2D Image | 1-(3,4-Dihydro-2H-chromen-4-ylamino)-1-oxo-2-propanyl 3,5-bis(trifluoromethyl)benzoate | C21H17F6NO4

1-(3,4-Dihydro-2H-chromen-4-ylamino)-1-oxo-2-propanyl 3,5-bis(trifluoromethyl)benzoate

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID33742537

More details:

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

1-(3,4-Dihydro-2H-chromen-4-ylamino)-1-oxo-2-propanyl 3,5-bis(trifluoromethyl)benzoate [ACD/IUPAC Name]
1-(3,4-Dihydro-2H-chromen-4-ylamino)-1-oxo-2-propanyl-3,5-bis(trifluormethyl)benzoat [German] [ACD/IUPAC Name]
3,5-Bis(trifluorométhyl)benzoate de 1-(3,4-dihydro-2H-chromén-4-ylamino)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,5-bis(trifluoromethyl)-, 2-[(3,4-dihydro-2H-1-benzopyran-4-yl)amino]-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 540.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.5±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 99.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4716.13
ACD/KOC (pH 5.5): 14830.15
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4716.12
ACD/KOC (pH 7.4): 14830.11
Polar Surface Area: 65 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 322.4±5.0 cm3

Click to predict properties on the Chemicalize site


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