Found 1 result

Search term: CLKUATWZUWTKSN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-{1-[(2,2-Difluoro-1-methylcyclopropyl)carbonyl]-3-piperidinyl}propanoic acid | C13H19F2NO3

3-{1-[(2,2-Difluoro-1-methylcyclopropyl)carbonyl]-3-piperidinyl}propanoic acid

  • Molecular FormulaC13H19F2NO3
  • Average mass275.292 Da
  • Monoisotopic mass275.133301 Da
  • ChemSpider ID58006512

More details:






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

3-{1-[(2,2-Difluor-1-methylcyclopropyl)carbonyl]-3-piperidinyl}propansäure [German] [ACD/IUPAC Name]
3-{1-[(2,2-Difluoro-1-methylcyclopropyl)carbonyl]-3-piperidinyl}propanoic acid [ACD/IUPAC Name]
3-Piperidinepropanoic acid, 1-[(2,2-difluoro-1-methylcyclopropyl)carbonyl]- [ACD/Index Name]
Acide 3-{1-[(2,2-difluoro-1-méthylcyclopropyl)carbonyl]-3-pipéridinyl}propanoïque [French] [ACD/IUPAC 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: 431.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±6.0 kJ/mol
Flash Point: 214.7±28.7 °C
Index of Refraction: 1.506
Molar Refractivity: 64.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.66
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 215.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement