ChemSpider 2D Image | 1-[(2S)-2-(3,4-Dichlorophenyl)-1-pyrrolidinyl]-2,2,2-trifluoroethanone | C12H10Cl2F3NO

1-[(2S)-2-(3,4-Dichlorophenyl)-1-pyrrolidinyl]-2,2,2-trifluoroethanone

  • Molecular FormulaC12H10Cl2F3NO
  • Average mass312.115 Da
  • Monoisotopic mass311.009155 Da
  • ChemSpider ID96885201

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2S)-2-(3,4-Dichlorophenyl)-1-pyrrolidinyl]-2,2,2-trifluoroethanone [ACD/IUPAC Name]
1-[(2S)-2-(3,4-Dichlorophényl)-1-pyrrolidinyl]-2,2,2-trifluoroéthanone [French] [ACD/IUPAC Name]
1-[(2S)-2-(3,4-Dichlorphenyl)-1-pyrrolidinyl]-2,2,2-trifluorethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(2S)-2-(3,4-dichlorophenyl)-1-pyrrolidinyl]-2,2,2-trifluoro- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 406.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.7±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 65.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 684.22
ACD/KOC (pH 5.5): 3724.23
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 684.22
ACD/KOC (pH 7.4): 3724.23
Polar Surface Area: 20 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 215.5±3.0 cm3

Click to predict properties on the Chemicalize site


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