tetrafluorobutanedioyl difluoride

• ChemBase ID: 12142
• Molecular Formular: C4F6O2
• Molecular Mass: 194.0320192
• Monoisotopic Mass: 193.98024856
• SMILES: O=C(F)C(C(C(=O)F)(F)F)(F)F
• Canonical SMILES: FC(=O)C(C(C(=O)F)(F)F)(F)F
• InChI: InChI=1S/C4F6O2/c5-1(11)3(7,8)4(9,10)2(6)12
• InChIKey: KNURRSZDMIXZLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluorobutanedioyl difluoride
• IUPAC Traditional name: tetrafluorobutanedioyl difluoride
• Synonyms: Tetrafluorosuccinyl fluoride; Perfluorosuccinoyl fluoride; Tetrafluorobutane-1,4-dioyl difluoride 97%

Database IDs

• CAS Number: 679-13-0
• MDL Number: MFCD00171519
• PubChem SID: 160975449
• PubChem CID: 2776618

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.6290146
• LogD (pH = 7.4): 1.6290146
• Log P: 1.6290146
• Molar Refractivity: 22.2216 cm^3
• Polarizability: 8.563693 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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