Found 226 results

Search term: MF = 'C_{17}H_{21}F_{3}N_{2}O_{5}'
ChemSpider 2D Image | (3S,4S)-1-[(2,5-Diethoxyphenyl)carbamoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C17H21F3N2O5

(3S,4S)-1-[(2,5-Diethoxyphenyl)carbamoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC17H21F3N2O5
  • Average mass390.354 Da
  • Monoisotopic mass390.140259 Da
  • ChemSpider ID57964740

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[(2,5-Diethoxyphenyl)carbamoyl]-4-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-[(2,5-Diethoxyphenyl)carbamoyl]-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[(2,5-diethoxyphenyl)amino]carbonyl]-4-(trifluoromethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[(2,5-diéthoxyphényl)carbamoyl]-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: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.74
ACD/KOC (pH 5.5): 17.72
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 284.7±3.0 cm3

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