ChemSpider 2D Image | FLUCICLOVINE | C5H8FNO2

FLUCICLOVINE

  • Molecular FormulaC5H8FNO2
  • Average mass133.121 Da
  • Monoisotopic mass133.053909 Da
  • ChemSpider ID28487364

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

222727-43-7 [RN]
Acide trans-1-amino-3-fluorocyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 1-amino-3-fluoro-, trans- [ACD/Index Name]
FLUCICLOVINE
trans-1-Amino-3-fluorcyclobutancarbonsäure [German] [ACD/IUPAC Name]
trans-1-Amino-3-fluorocyclobutanecarboxylic acid [ACD/IUPAC Name]
(1r,3r)-1-amino-3-fluorocyclobutane-1-carboxylic acid
[222727-43-7] [RN]
915796-08-6 [RN]
anti-1-amino-3-fluorocyclobutyl-1-carboxylic acid
More...

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

YKG0YF688X [DBID]
UNII:YKG0YF688X [DBID]
UNII-YKG0YF688X [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of cyclobutanes that is cyclobutane which carries a carboxy, amino and fluoro groups at positions 1, 1 and 3, respectively (the 1r,3r-stereoisomer). ChEBI CHEBI:176400

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

Density: 1.4±0.1 g/cm3
Boiling Point: 254.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 54.1±6.0 kJ/mol
Flash Point: 107.4±27.3 °C
Index of Refraction: 1.497
Molar Refractivity: 28.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 97.6±5.0 cm3

Click to predict properties on the Chemicalize site


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