copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane

C8H11CuF6O2P — CID 118855789

IUPACcopper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane
SMILESCP(C)C.O=C(/C(O)=C/C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/C5H2F6O2.C3H9P.Cu/c6-4(7,8)1-2(12)3(13)5(9,10)11;1-4(2)3;/h1,12H;1-3H3;/b2-1-;;
InChIKeyGVSUUFKMQJJKKJ-UAIGNFCESA-N
MW347.68 g/mol
LogP3.48
Rot. Bonds1

About copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane

copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane (PubChem CID 118855789) has the molecular formula C8H11CuF6O2P and a molecular weight of 347.68 g/mol. Its IUPAC name is copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane.

Molecular Properties

Compound Namecopper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane
PubChem CID118855789
Molecular FormulaC8H11CuF6O2P
Molecular Weight347.68 g/mol
Exact Mass346.97
IUPAC Namecopper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane
SMILESCP(C)C.O=C(/C(O)=C/C(F)(F)F)C(F)(F)F.[Cu]
InChIInChI=1S/C5H2F6O2.C3H9P.Cu/c6-4(7,8)1-2(12)3(13)5(9,10)11;1-4(2)3;/h1,12H;1-3H3;/b2-1-;;
InChIKeyGVSUUFKMQJJKKJ-UAIGNFCESA-N
XLogP3.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane?
The IUPAC name of copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane (CID 118855789) is copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane.
What is the SMILES notation for copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane?
The canonical SMILES for copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane is CP(C)C.O=C(/C(O)=C/C(F)(F)F)C(F)(F)F.[Cu].
What is the InChIKey of copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane?
The InChIKey is GVSUUFKMQJJKKJ-UAIGNFCESA-N. The full InChI is InChI=1S/C5H2F6O2.C3H9P.Cu/c6-4(7,8)1-2(12)3(13)5(9,10)11;1-4(2)3;/h1,12H;1-3H3;/b2-1-;;.
What are the key properties of copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane?
copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane has a molecular weight of 347.68 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-1,1,1,5,5,5-hexafluoro-3-hydroxypent-3-en-2-one;trimethylphosphane is sourced from PubChem (CID 118855789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).