ChemSpider 2D Image | (2S)-Cyclohexyl[(trifluoroacetyl)amino]acetic acid | C10H14F3NO3

(2S)-Cyclohexyl[(trifluoroacetyl)amino]acetic acid

  • Molecular FormulaC10H14F3NO3
  • Average mass253.218 Da
  • Monoisotopic mass253.092575 Da
  • ChemSpider ID114865636

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-Cyclohexyl[(trifluoracetyl)amino]essigsäure [German] [ACD/IUPAC Name]
(2S)-Cyclohexyl[(trifluoroacetyl)amino]acetic acid [ACD/IUPAC Name]
Acide (2S)-cyclohexyl[(2,2,2-trifluoroacétyl)amino]acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, α-[(2,2,2-trifluoroacetyl)amino]-, (αS)- [ACD/Index Name]
(S)-2-Cyclohexyl-2-(2,2,2-trifluoroacetamido)acetic acid
2679832-44-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 374.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 180.1±27.9 °C
Index of Refraction: 1.452
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.83
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 192.0±3.0 cm3

Click to predict properties on the Chemicalize site


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