Found 30 results

Search term: MF = 'C_{14}H_{9}F_{6}NO_{3}'
ChemSpider 2D Image | (2R)-2-{[3,5-Bis(trifluoromethyl)benzoyl]amino}-4-pentynoic acid | C14H9F6NO3

(2R)-2-{[3,5-Bis(trifluoromethyl)benzoyl]amino}-4-pentynoic acid

  • Molecular FormulaC14H9F6NO3
  • Average mass353.217 Da
  • Monoisotopic mass353.048676 Da
  • ChemSpider ID24969281

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-{[3,5-Bis(trifluormethyl)benzoyl]amino}-4-pentinsäure [German] [ACD/IUPAC Name]
(2R)-2-{[3,5-Bis(trifluoromethyl)benzoyl]amino}-4-pentynoic acid [ACD/IUPAC Name]
4-Pentynoic acid, 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-, (2R)- [ACD/Index Name]
Acide (2R)-2-{[3,5-bis(trifluorométhyl)benzoyl]amino}-4-pentynoïque [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: 386.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 187.7±27.9 °C
Index of Refraction: 1.473
Molar Refractivity: 67.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.08
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 241.6±3.0 cm3

Click to predict properties on the Chemicalize site


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