ChemSpider 2D Image | (1R,3S)-2,2-Dimethyl-3-{[3-(trifluoromethyl)-1-piperidinyl]carbonyl}cyclopropanecarboxylic acid | C13H18F3NO3

(1R,3S)-2,2-Dimethyl-3-{[3-(trifluoromethyl)-1-piperidinyl]carbonyl}cyclopropanecarboxylic acid

  • Molecular FormulaC13H18F3NO3
  • Average mass293.282 Da
  • Monoisotopic mass293.123871 Da
  • ChemSpider ID56577169

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,3S)-2,2-Dimethyl-3-{[3-(trifluormethyl)-1-piperidinyl]carbonyl}cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,3S)-2,2-Dimethyl-3-{[3-(trifluoromethyl)-1-piperidinyl]carbonyl}cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,3S)-2,2-diméthyl-3-{[3-(trifluorométhyl)-1-pipéridinyl]carbonyl}cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-[[3-(trifluoromethyl)-1-piperidinyl]carbonyl]-, (1R,3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 396.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 193.4±27.9 °C
Index of Refraction: 1.482
Molar Refractivity: 63.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 28.42
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 221.8±3.0 cm3

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