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
Defined Bond Stereocenter Count
1
Exact Mass
379.019396
H-Bond Acceptor
8
H-Bond Donor
1
Heavy Atom Count
22
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
