ChemSpider 2D Image | 1-[4,4-Bis(4-fluorophenyl)butyl]-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one | C28H29F2N3O

1-[4,4-Bis(4-fluorophenyl)butyl]-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID34223343

More details:

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

1-[4,4-Bis(4-fluorophenyl)butyl]-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one [ACD/IUPAC Name]
1-[4,4-Bis(4-fluorophényl)butyl]-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-one [French] [ACD/IUPAC Name]
1-[4,4-Bis(4-fluorphenyl)butyl]-1'H-spiro[piperidine-4,2'-quinazolin]-4'(3'H)-on [German] [ACD/IUPAC Name]
Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 1-[4,4-bis(4-fluorophenyl)butyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 680.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.3±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 4.75
ACD/KOC (pH 5.5): 15.06
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 90.18
ACD/KOC (pH 7.4): 285.84
Polar Surface Area: 44 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 55.2±5.0 dyne/cm
Molar Volume: 362.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement