4,4,5,5,6,6,7,7-octafluorodeca-1,9-diene

• ChemBase ID: 97063
• Molecular Formular: C10H10F8
• Molecular Mass: 282.1736256
• Monoisotopic Mass: 282.06547608
• SMILES: FC(C(C(C(CC=C)(F)F)(F)F)(F)F)(CC=C)F
• Canonical SMILES: C=CCC(C(C(C(CC=C)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H10F8/c1-3-5-7(11,12)9(15,16)10(17,18)8(13,14)6-4-2/h3-4H,1-2,5-6H2
• InChIKey: QDSCCIAFMBNMKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7-octafluorodeca-1,9-diene
• IUPAC Traditional name: 4,4,5,5,6,6,7,7-octafluorodeca-1,9-diene
• Synonyms: 4,4,5,5,6,6,7,7-Octafluorodeca-1,9-diene

Database IDs

• CAS Number: 170804-07-6
• MDL Number: MFCD03094230
• PubChem SID: 162083688
• PubChem CID: 2778297

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5565147
• LogD (pH = 7.4): 4.5565147
• Log P: 4.5565147
• Molar Refractivity: 48.6972 cm^3
• Polarizability: 17.617659 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant