ChemSpider 2D Image | (1S,2R)-2-(Trifluoromethyl)cyclopropanecarboxylic acid | C5H5F3O2

(1S,2R)-2-(Trifluoromethyl)cyclopropanecarboxylic acid

  • Molecular FormulaC5H5F3O2
  • Average mass154.087 Da
  • Monoisotopic mass154.024170 Da
  • ChemSpider ID26055361

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2R)-2-(Trifluormethyl)cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R)-2-(Trifluoromethyl)cyclopropanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R)-2-(trifluorométhyl)cyclopropanecarboxylique [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-(trifluoromethyl)-, (1S,2R)- [ACD/Index Name]
MFCD17977173 [MDL number]
(±)-cis-2-(Trifluoromethyl)cyclopropanecarboxylic acid
(1R,2S)-rel-2-(Trifluoromethyl)cyclopropanecarboxylic acid
(1S,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
1258652-18-4 [RN]
1932259-61-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 168.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.6 mmHg at 25°C
Enthalpy of Vaporization: 44.6±6.0 kJ/mol
Flash Point: 55.5±25.9 °C
Index of Refraction: 1.416
Molar Refractivity: 24.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.74
ACD/LogD (pH 7.4): -2.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 9.8±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 98.6±3.0 cm3

Click to predict properties on the Chemicalize site


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