methylphosphonoyl difluoride

• ChemBase ID: 128387
• Molecular Formular: CH3F2OP
• Molecular Mass: 100.0044874
• Monoisotopic Mass: 99.98895779
• SMILES: CP(=O)(F)F
• Canonical SMILES: CP(=O)(F)F
• InChI: InChI=1S/CH3F2OP/c1-5(2,3)4/h1H3
• InChIKey: PQIOSYKVBBWRRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylphosphonoyl difluoride
• IUPAC Traditional name: methylphosphonyl difluoride
• Synonyms: Methylphosphonyl difluoride; Methylphosphonoyl difluoride; Methylphosphonyl difluoride

Database IDs

• CAS Number: 676-99-3
• Beilstein Number: 4-04-00-03508
• PubChem SID: 162222694
• PubChem CID: 69610
• Chemspider ID: 62813
• MeSH Name: Methylphosphonic difluoride
• Wikipedia Title: Methylphosphonyl_difluoride

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.1261625
• LogD (pH = 7.4): 0.1261625
• Log P: 0.1261625
• Molar Refractivity: 15.0514 cm^3
• Polarizability: 5.8692665 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true