trifluoroacetic acid copper hydrate

• ChemBase ID: 303806
• Molecular Formular: C2H3CuF3O3
• Molecular Mass: 195.5846296
• Monoisotopic Mass: 194.93302612
• SMILES: C(=O)(C(F)(F)F)O.O.[Cu]
• Canonical SMILES: OC(=O)C(F)(F)F.O.[Cu]
• InChI: InChI=1S/C2HF3O2.Cu.H2O/c3-2(4,5)1(6)7;;/h(H,6,7);;1H2
• InChIKey: AKQGQKFVDGRGJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trifluoroacetic acid copper hydrate
• IUPAC Traditional name: trifluoroacetic acid copper hydrate
• Synonyms: Copper(II) trifluoroacetate hydrate

Database IDs

• CAS Number: 123333-88-0
• MDL Number: MFCD00013200

CALCULATED PROPERTIES

• Acid pKa: 0.9503416
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• Molar Refractivity: 13.6539 cm^3
• Polarizability: 5.227252 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A