Found 42 results

Search term: MF = 'C_{9}H_{12}FNO_{4}'
ChemSpider 2D Image | (3S)-1-[(Allyloxy)carbonyl]-3-fluoro-L-proline | C9H12FNO4

(3S)-1-[(Allyloxy)carbonyl]-3-fluoro-L-proline

  • Molecular FormulaC9H12FNO4
  • Average mass217.194 Da
  • Monoisotopic mass217.075043 Da
  • ChemSpider ID114863059

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S)-1-[(Allyloxy)carbonyl]-3-fluor-L-prolin [German] [ACD/IUPAC Name]
(3S)-1-[(Allyloxy)carbonyl]-3-fluoro-L-proline [ACD/IUPAC Name]
(3S)-1-[(Allyloxy)carbonyl]-3-fluoro-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 3-fluoro-, 1-(2-propen-1-yl) ester, (2R,3S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 349.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.2±6.0 kJ/mol
Flash Point: 165.0±27.9 °C
Index of Refraction: 1.504
Molar Refractivity: 48.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 165.2±5.0 cm3

Click to predict properties on the Chemicalize site


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