cerium(3+) ion hydrate trifluoride

• ChemBase ID: 108521
• Molecular Formular: CeF3O
• Molecular Mass: 213.1106096
• Monoisotopic Mass: 212.89556228
• SMILES: O.[F-].[F-].[F-].[Ce+3]
• Canonical SMILES: O.[F-].[F-].[F-].[Ce+3]
• InChI: InChI=1S/Ce.3FH.H2O/h;3*1H;1H2/q+3;;;;/p-3
• InChIKey: CRJRBILIOYRLBO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: cerium(3+) ion hydrate trifluoride
• IUPAC Traditional name: cerium(3+) hydrate trifluoride
• Synonyms: CEROUS FLUORIDE, HYDRATE

Database IDs

• CAS Number: 7758-88-5
• PubChem SID: 162094458
• PubChem CID: 25021390

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05207681

MP Biomedicals Rare Chemical collection