Found 109 results

Search term: MF = 'C_{29}H_{35}F_{2}N_{3}O_{3}'
ChemSpider 2D Image | 1-[(2S)-2-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}carbonyl)-1-pyrrolidinyl]-3,3-dimethyl-1,2-pentanedione | C29H35F2N3O3

1-[(2S)-2-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}carbonyl)-1-pyrrolidinyl]-3,3-dimethyl-1,2-pentanedione

  • Molecular FormulaC29H35F2N3O3
  • Average mass511.603 Da
  • Monoisotopic mass511.264648 Da
  • ChemSpider ID8024976

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,2-Pentanedione, 1-[(2S)-2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]carbonyl]-1-pyrrolidinyl]-3,3-dimethyl- [ACD/Index Name]
1-[(2S)-2-({4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}carbonyl)-1-pyrrolidinyl]-3,3-dimethyl-1,2-pentanedione [ACD/IUPAC Name]
1-[(2S)-2-({4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}carbonyl)-1-pyrrolidinyl]-3,3-diméthyl-1,2-pentanedione [French] [ACD/IUPAC Name]
1-[(2S)-2-({4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}carbonyl)-1-pyrrolidinyl]-3,3-dimethyl-1,2-pentandion [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 612.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.0±34.3 °C
Index of Refraction: 1.566
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 273.44
ACD/KOC (pH 5.5): 1842.83
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 321.92
ACD/KOC (pH 7.4): 2169.56
Polar Surface Area: 61 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 417.2±3.0 cm3

Click to predict properties on the Chemicalize site


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