dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)

C42H26Cu2F6O12 — CID 139036983

IUPACdicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
SMILESO=C(O)c1ccccc1F.O=C(O)c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Cu+2].[Cu+2]
InChIInChI=1S/6C7H5FO2.2Cu/c6*8-6-4-2-1-3-5(6)7(9)10;;/h6*1-4H,(H,9,10);;/q;;;;;;2*+2/p-4
InChIKeyUBPNBLMGWCIITM-UHFFFAOYSA-J
MW963.74 g/mol
LogP3.80
Rot. Bonds6

About dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)

dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid) (PubChem CID 139036983) has the molecular formula C42H26Cu2F6O12 and a molecular weight of 963.74 g/mol. Its IUPAC name is dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid).

Molecular Properties

Compound Namedicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
PubChem CID139036983
Molecular FormulaC42H26Cu2F6O12
Molecular Weight963.74 g/mol
Exact Mass961.99
IUPAC Namedicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
SMILESO=C(O)c1ccccc1F.O=C(O)c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Cu+2].[Cu+2]
InChIInChI=1S/6C7H5FO2.2Cu/c6*8-6-4-2-1-3-5(6)7(9)10;;/h6*1-4H,(H,9,10);;/q;;;;;;2*+2/p-4
InChIKeyUBPNBLMGWCIITM-UHFFFAOYSA-J
XLogP3.80
TPSA235.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500963.74
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

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N,N-dimethylformamide;2-fluorobenzoic acid
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Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)?
The IUPAC name of dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid) (CID 139036983) is dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid).
What is the SMILES notation for dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)?
The canonical SMILES for dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid) is O=C(O)c1ccccc1F.O=C(O)c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)?
The InChIKey is UBPNBLMGWCIITM-UHFFFAOYSA-J. The full InChI is InChI=1S/6C7H5FO2.2Cu/c6*8-6-4-2-1-3-5(6)7(9)10;;/h6*1-4H,(H,9,10);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)?
dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid) has a molecular weight of 963.74 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid) is sourced from PubChem (CID 139036983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).