ChemSpider 2D Image | 2-Methyl-2-propanyl (12E)-1-(fluoromethyl)-3,18-dioxo-1'H-spiro[10,15-dioxa-2,19-diazatricyclo[17.2.1.0~4,9~]docosa-4,6,8,12-tetraene-17,3'-piperidine]-1'-carboxylate | C28H38FN3O6

2-Methyl-2-propanyl (12E)-1-(fluoromethyl)-3,18-dioxo-1'H-spiro[10,15-dioxa-2,19-diazatricyclo[17.2.1.04,9]docosa-4,6,8,12-tetraene-17,3'-piperidine]-1'-carboxylate

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID104769288

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Methyl-2-propanyl (12E)-1-(fluoromethyl)-3,18-dioxo-1'H-spiro[10,15-dioxa-2,19-diazatricyclo[17.2.1.04,9]docosa-4,6,8,12-tetraene-17,3'-piperidine]-1'-carboxylate [ACD/IUPAC 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: 731.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.4±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.35
ACD/KOC (pH 5.5): 607.71
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 54.35
ACD/KOC (pH 7.4): 607.71
Polar Surface Area: 97 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

Click to predict properties on the Chemicalize site


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