difluoropropanedioyl difluoride

• ChemBase ID: 11919
• Molecular Formular: C3F4O2
• Molecular Mass: 144.0245128
• Monoisotopic Mass: 143.98344212
• SMILES: C(=O)(C(C(=O)F)(F)F)F
• Canonical SMILES: FC(=O)C(C(=O)F)(F)F
• InChI: InChI=1S/C3F4O2/c4-1(8)3(6,7)2(5)9
• InChIKey: KJOOJFLEZNWPIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: difluoropropanedioyl difluoride
• IUPAC Traditional name: difluoropropanedioyl difluoride
• Synonyms: Difluoromalonyl fluoride

Database IDs

• CAS Number: 5930-67-6
• MDL Number: MFCD03094111
• PubChem SID: 160975226
• PubChem CID: 2774099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.92837197
• LogD (pH = 7.4): 0.92837197
• Log P: 0.92837197
• Molar Refractivity: 17.5536 cm^3
• Polarizability: 6.657335 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: -9

Safety Information

• Storage Warning: TOXIC, CORROSIVE
• TSCA Listed: false