copper(2+) ion bis((2Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)

• ChemBase ID: 94638
• Molecular Formular: C10H8CuF6O4
• Molecular Mass: 369.7045392
• Monoisotopic Mass: 368.96227556
• SMILES: [O-]/C(=C\C(=O)C)/C(F)(F)F.[Cu+2].[O-]/C(=C\C(=O)C)/C(F)(F)F
• Canonical SMILES: [O-]/C(=C\C(=O)C)/C(F)(F)F.[O-]/C(=C\C(=O)C)/C(F)(F)F.[Cu+2]
• InChI: InChI=1S/2C5H5F3O2.Cu/c2*1-3(9)2-4(10)5(6,7)8;/h2*2,10H,1H3;/q;;+2/p-2
• InChIKey: GZVJAFMHAGQIEB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis((2Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate); copper(2+) ion bis(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
• IUPAC Traditional name: copper(2+) ion bis((2Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate); copper(2+) bis(1,1,1-trifluoro-4-oxopent-2-en-2-olate)
• Synonyms: Copper(II) 1,1,1-trifluoroacetylacetonate; Copper(II) 1,1,1-trifluoro-2,4-pentanedionate; Copper(II) trifluoroacetylacetonate 97%; 1,1,1-三氟乙酰丙酮铜(II)

Database IDs

• CAS Number: 14324-82-4
• EC Number: 238-271-4
• MDL Number: MFCD00042511
• PubChem SID: 162081292
• PubChem CID: 5483683

CALCULATED PROPERTIES

• Acid pKa: 4.7207155
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.09748985
• LogD (pH = 7.4): -1.6800448
• Log P: 0.942788
• Molar Refractivity: 39.8911 cm^3
• Polarizability: 9.87203 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 194-196°C; 198-199°C
• Boiling Point: 260°C dec.

Safety Information

• Storage Warning: Irritant
• TSCA Listed: 否

Product Information

• Purity: 97%