ChemSpider 2D Image | (1R,3S)-3-[Cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclopentanecarboxylic acid | C12H17F2NO3

(1R,3S)-3-[Cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclopentanecarboxylic acid

  • Molecular FormulaC12H17F2NO3
  • Average mass261.265 Da
  • Monoisotopic mass261.117645 Da
  • ChemSpider ID58081376

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-3-[Cyclopropyl(2,2-difluorethyl)carbamoyl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1R,3S)-3-[Cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,3S)-3-[cyclopropyl(2,2-difluoroéthyl)carbamoyl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[[cyclopropyl(2,2-difluoroethyl)amino]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: 420.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 207.9±28.7 °C
Index of Refraction: 1.504
Molar Refractivity: 59.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.71
ACD/LogD (pH 7.4): -1.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 200.2±5.0 cm3

Click to predict properties on the Chemicalize site


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