Found 124 results

Search term: MF = 'C_{16}H_{12}F_{4}N_{2}O_{3}S'
ChemSpider 2D Image | (3S,4S)-1-{[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]carbonyl}-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid | C16H12F4N2O3S

(3S,4S)-1-{[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]carbonyl}-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC16H12F4N2O3S
  • Average mass388.337 Da
  • Monoisotopic mass388.050476 Da
  • ChemSpider ID54839436

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-{[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]carbonyl}-4-(trifluoromethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3S,4S)-1-{[2-(4-Fluorphenyl)-1,3-thiazol-4-yl]carbonyl}-4-(trifluormethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[[2-(4-fluorophenyl)-4-thiazolyl]carbonyl]-4-(trifluoromethyl)-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-{[2-(4-fluorophényl)-1,3-thiazol-4-yl]carbonyl}-4-(trifluorométhyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.9±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 83.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.98
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 254.3±3.0 cm3

Click to predict properties on the Chemicalize site


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