Copper(I) hexafluoro-2,4-pentanedionate 1,5-cyclooctadiene complex

• CAS: 86233-74-1
• Catalog Number: ACM86233741-1
• Category: Organic Copper
• Molecular Weight: 379.78
• Molecular Formula: C13H14CuF6O2
• Synonyms: 1,5-Cyclooctadiene(hexafluoro-2,4-pentanedionato)copper(I)
• IUPAC Name: copper;cyclooctane;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one
• Canonical SMILES: C1C[CH][CH]CC[CH][CH]1.C(=C(C(F)(F)F)O)C(=O)C(F)(F)F.[Cu]
• InChI: InChI=1S/C8H12.C5H2F6O2.Cu/c1-2-4-6-8-7-5-3-1;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-2,7-8H,3-6H2;1,12H;/b;2-1-
• InChI Key: WSAPIYREFIKPSH-FJOGWHKWSA-N
• Melting Point: 82-84 °C
• Appearance: Powder
• Storage: 0-10°C
• Complexity: 272
• Covalently-Bonded Unit Count: 3
• Defined Bond Stereocenter Count: 1
• Exact Mass: 379.019396
• H-Bond Acceptor: 8
• H-Bond Donor: 1
• Heavy Atom Count: 22
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C1C[CH][CH]CC[CH][CH]1.C(=C(/C(F)(F)F)\O)\C(=O)C(F)(F)F.[Cu]
• Monoisotopic Mass: 379.019396
• Rotatable Bond Count: 1
• Topological Polar Surface Area: 37.3 Ų