aluminium(3+) ion tritrifluoroacetate

• ChemBase ID: 94561
• Molecular Formular: C6H3AlF9O6
• Molecular Mass: 369.0515868
• Monoisotopic Mass: 368.96013043
• SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[AlH3+3]
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[AlH3+3]
• InChI: InChI=1S/3C2HF3O2.Al/c3*3-2(4,5)1(6)7;/h3*(H,6,7);/q;;;+3/p-3
• InChIKey: FJYDXYVSFFWRER-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: aluminium(3+) ion tritrifluoroacetate
• IUPAC Traditional name: aluminium(3+) tritrifluoroacetate
• Synonyms: Aluminium trifluoroacetate 97%

Database IDs

• CAS Number: 36554-89-9
• MDL Number: MFCD03411227
• PubChem SID: 162081215
• PubChem CID: 22604259

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 24.491 cm^3
• Polarizability: 5.106112 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant