ChemSpider 2D Image | (1R,5S)-3,3-Difluoro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylic acid | C12H19F2NO4

(1R,5S)-3,3-Difluoro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylic acid

  • Molecular FormulaC12H19F2NO4
  • Average mass279.280 Da
  • Monoisotopic mass279.128204 Da
  • ChemSpider ID39530995

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,5S)-3,3-Difluor-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
(1R,5S)-3,3-Difluoro-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide (1R,5S)-3,3-difluoro-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-difluoro-, (1R,5S)- [ACD/Index Name]
(1R,5S)-5-(tert-Butoxycarbonylamino)-3,3-difluoro-cyclohexanecarboxylic acid
(1R,5S)-rel-5-((tert-Butoxycarbonyl)amino)-3,3-difluorocyclohexanecarboxylic acid
1261225-61-9 [RN]
cis-5-{[(tert-butoxy)carbonyl]amino}-3,3-difluorocyclohexane-1-carboxylic acid
cyclohexanecarboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-3,3-difluoro-, (1r,5s)-rel-
MFCD28987733

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

Density: 1.2±0.1 g/cm3
Boiling Point: 399.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 71.4±6.0 kJ/mol
Flash Point: 195.4±27.9 °C
Index of Refraction: 1.469
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 38.8±5.0 dyne/cm
Molar Volume: 225.9±5.0 cm3

Click to predict properties on the Chemicalize site


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