ChemSpider 2D Image | (3-Fluorophenyl){3-(3-fluorophenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanone | C28H29F2N3O

(3-Fluorophenyl){3-(3-fluorophenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanone

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID22729741

More details:

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

(3-Fluorophenyl){3-(3-fluorophenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanone [ACD/IUPAC Name]
(3-Fluorophényl){3-(3-fluorophényl)-4-[(4-phényl-1-pipérazinyl)méthyl]-1-pyrrolidinyl}méthanone [French] [ACD/IUPAC Name]
(3-Fluorphenyl){3-(3-fluorphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinyl}methanon [German] [ACD/IUPAC Name]
Methanone, (3-fluorophenyl)[3-(3-fluorophenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 71.15
ACD/KOC (pH 5.5): 333.83
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 965.52
ACD/KOC (pH 7.4): 4530.10
Polar Surface Area: 27 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 375.8±3.0 cm3

Click to predict properties on the Chemicalize site


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