ChemSpider 2D Image | 4-[(2S)-2-Pyrrolidinyl]-2-(trifluoromethyl)aniline | C11H13F3N2

4-[(2S)-2-Pyrrolidinyl]-2-(trifluoromethyl)aniline

  • Molecular FormulaC11H13F3N2
  • Average mass230.230 Da
  • Monoisotopic mass230.103088 Da
  • ChemSpider ID27450288
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

4-[(2S)-2-Pyrrolidinyl]-2-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
4-[(2S)-2-Pyrrolidinyl]-2-(trifluoromethyl)aniline [ACD/IUPAC Name]
4-[(2S)-2-Pyrrolidinyl]-2-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
Benzenamine, 4-[(2S)-2-pyrrolidinyl]-2-(trifluoromethyl)- [ACD/Index Name]
4-((2S)PYRROLIDIN-2-YL)-2-(TRIFLUOROMETHYL)PHENYLAMINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 295.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.5±3.0 kJ/mol
Flash Point: 132.3±27.3 °C
Index of Refraction: 1.512
Molar Refractivity: 55.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.93
Polar Surface Area: 38 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 184.7±3.0 cm3

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