fluorophosphonate

• ChemBase ID: 2089
• Molecular Formular: FO3P--
• Molecular Mass: 97.9703642
• Monoisotopic Mass: 97.95690871
• SMILES: [O-]P(=O)([O-])F
• Canonical SMILES: [O-]P(=O)(F)[O-]
• InChI: InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4)/p-2
• InChIKey: DWYMPOCYEZONEA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: fluorophosphonate
• IUPAC Traditional name: fluoro-phosphite ion
• Synonyms: Fluoro-Phosphite Ion

Database IDs

• CAS Number: 10163-15-2
• PubChem SID: 160965543; 46508730
• PubChem CID: 65241

CALCULATED PROPERTIES

• Acid pKa: 0.10044052
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.0146842
• LogD (pH = 7.4): -4.2029057
• Log P: -0.54229677
• Molar Refractivity: 11.3452 cm^3
• Polarizability: 5.1281486 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

DrugBank - DB02348

Drug information: experimental