ChemSpider 2D Image | Benzyl [(3S,6E)-4,4,9,9-tetrafluoro-10-oxo-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl]carbamate | C17H17F4NO4

Benzyl [(3S,6E)-4,4,9,9-tetrafluoro-10-oxo-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl]carbamate

  • Molecular FormulaC17H17F4NO4
  • Average mass375.315 Da
  • Monoisotopic mass375.109375 Da
  • ChemSpider ID30658597

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(3S,6E)-4,4,9,9-Tétrafluoro-10-oxo-3,4,5,8,9,10-hexahydro-2H-oxécin-3-yl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(3S,6E)-4,4,9,9-tetrafluoro-10-oxo-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl]carbamate [ACD/IUPAC Name]
Benzyl-[(3S,6E)-4,4,9,9-tetrafluor-10-oxo-3,4,5,8,9,10-hexahydro-2H-oxecin-3-yl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(3S,6E)-4,4,9,9-tetrafluoro-3,4,5,8,9,10-hexahydro-10-oxo-2H-oxecin-3-yl]-, phenylmethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 492.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.5±28.7 °C
Index of Refraction: 1.507
Molar Refractivity: 83.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.63
ACD/KOC (pH 5.5): 971.02
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 101.35
ACD/KOC (pH 7.4): 940.58
Polar Surface Area: 65 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 280.3±5.0 cm3

Click to predict properties on the Chemicalize site


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