copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate

C12H12CuF6N2O2 — CID 138399478

IUPACcopper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate
SMILESCC(/C=C(\[O-])C(F)(F)F)=N\CC/N=C(C)/C=C(\[O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C12H14F6N2O2.Cu/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h5-6,21-22H,3-4H2,1-2H3;/q;+2/p-2/b9-5-,10-6-,19-7+,20-8+;
InChIKeyLPBALYLNDZBXTP-UPPZCWFQSA-L
MW393.77 g/mol
LogP1.52
Rot. Bonds5

About copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate

copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate (PubChem CID 138399478) has the molecular formula C12H12CuF6N2O2 and a molecular weight of 393.77 g/mol. Its IUPAC name is copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate.

Molecular Properties

Compound Namecopper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate
PubChem CID138399478
Molecular FormulaC12H12CuF6N2O2
Molecular Weight393.77 g/mol
Exact Mass393.01
IUPAC Namecopper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate
SMILESCC(/C=C(\[O-])C(F)(F)F)=N\CC/N=C(C)/C=C(\[O-])C(F)(F)F.[Cu+2]
InChIInChI=1S/C12H14F6N2O2.Cu/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h5-6,21-22H,3-4H2,1-2H3;/q;+2/p-2/b9-5-,10-6-,19-7+,20-8+;
InChIKeyLPBALYLNDZBXTP-UPPZCWFQSA-L
XLogP1.52
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate?
The IUPAC name of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate (CID 138399478) is copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate.
What is the SMILES notation for copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate?
The canonical SMILES for copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate is CC(/C=C(\[O-])C(F)(F)F)=N\CC/N=C(C)/C=C(\[O-])C(F)(F)F.[Cu+2].
What is the InChIKey of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate?
The InChIKey is LPBALYLNDZBXTP-UPPZCWFQSA-L. The full InChI is InChI=1S/C12H14F6N2O2.Cu/c1-7(5-9(21)11(13,14)15)19-3-4-20-8(2)6-10(22)12(16,17)18;/h5-6,21-22H,3-4H2,1-2H3;/q;+2/p-2/b9-5-,10-6-,19-7+,20-8+;.
What are the key properties of copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate?
copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate has a molecular weight of 393.77 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper (Z)-1,1,1-trifluoro-4-[2-[[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate is sourced from PubChem (CID 138399478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).