3,3,4,4-tetrafluorohexa-1,5-diene

• ChemBase ID: 44852
• Molecular Formular: C6H6F4
• Molecular Mass: 154.1054528
• Monoisotopic Mass: 154.04056307
• SMILES: C=CC(C(C=C)(F)F)(F)F
• Canonical SMILES: C=CC(C(C=C)(F)F)(F)F
• InChI: InChI=1S/C6H6F4/c1-3-5(7,8)6(9,10)4-2/h3-4H,1-2H2
• InChIKey: AKAQZCPDRXZZJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,4,4-tetrafluorohexa-1,5-diene
• IUPAC Traditional name: 3,3,4,4-tetrafluorohexa-1,5-diene
• Synonyms: 3,3,4,4-Tetrafluoro-1,5-hexadiene

Database IDs

• CAS Number: 1763-21-9
• MDL Number: MFCD00042378
• PubChem SID: 162049615
• PubChem CID: 74482

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.03531
• LogD (pH = 7.4): 3.03531
• Log P: 3.03531
• Molar Refractivity: 29.6304 cm^3
• Polarizability: 10.605115 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%