Found 10 results

Search term: MF = 'C_{17}H_{17}F_{4}NO_{4}'
ChemSpider 2D Image | (3aS,7aS)-2-{Fluoro[4-(trifluoromethyl)phenyl]acetyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid | C17H17F4NO4

(3aS,7aS)-2-{Fluoro[4-(trifluoromethyl)phenyl]acetyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid

  • Molecular FormulaC17H17F4NO4
  • Average mass375.315 Da
  • Monoisotopic mass375.109375 Da
  • ChemSpider ID58018607

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3aS,7aS)-2-{Fluor[4-(trifluormethyl)phenyl]acetyl}hexahydropyrano[3,4-c]pyrrol-7a(1H)-carbonsäure [German] [ACD/IUPAC Name]
(3aS,7aS)-2-{Fluoro[4-(trifluoromethyl)phenyl]acetyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid [ACD/IUPAC Name]
Acide (3aS,7aS)-2-{2-fluoro-2-[4-(trifluorométhyl)phényl]acétyl}hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylique [French] [ACD/IUPAC Name]
Pyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid, 2-[2-fluoro-2-[4-(trifluoromethyl)phenyl]acetyl]hexahydro-, (3aS,7aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 543.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 282.4±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.27
ACD/LogD (pH 7.4): -1.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 261.5±3.0 cm3

Click to predict properties on the Chemicalize site


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