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

Catalog Number	ACM86233741-1
CAS	86233-74-1
Structure
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;
Molecular Weight	379.78
Molecular Formula	C13H14CuF6O2
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
Purity	98%
Appearance	Powder
Storage	0-10°C
Complexity	272
Covalently-Bonded Unit Count	3
Exact Mass	379.019396
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