Found 10 results

Search term: MF = 'C_{17}H_{17}F_{4}NO_{4}'
ChemSpider 2D Image | (3S,4S)-1-[4-(3-Fluorophenyl)-3-methyl-4-oxobutanoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C17H17F4NO4

(3S,4S)-1-[4-(3-Fluorophenyl)-3-methyl-4-oxobutanoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC17H17F4NO4
  • Average mass375.315 Da
  • Monoisotopic mass375.109375 Da
  • ChemSpider ID54840593

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,4S)-1-[4-(3-Fluorophenyl)-3-methyl-4-oxobutanoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3S,4S)-1-[4-(3-Fluorphenyl)-3-methyl-4-oxobutanoyl]-4-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[4-(3-fluorophenyl)-3-methyl-1,4-dioxobutyl]-4-(trifluoromethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[4-(3-fluorophényl)-3-méthyl-4-oxobutanoyl]-4-(trifluorométhyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC 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: 524.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 270.8±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.67
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 269.9±3.0 cm3

Click to predict properties on the Chemicalize site


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