dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)

C34H30Cu2F4N2O10 — CID 139042107

IUPACdicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5FO2.2C3H7NO.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyZZCONVHRHRBWNP-UHFFFAOYSA-J
MW829.70 g/mol
LogP0.16
Rot. Bonds6

About dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)

dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate) (PubChem CID 139042107) has the molecular formula C34H30Cu2F4N2O10 and a molecular weight of 829.70 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate).

Molecular Properties

Compound Namedicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
PubChem CID139042107
Molecular FormulaC34H30Cu2F4N2O10
Molecular Weight829.70 g/mol
Exact Mass828.04
IUPAC Namedicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.O=C([O-])c1ccccc1F.[Cu+2].[Cu+2]
InChIInChI=1S/4C7H5FO2.2C3H7NO.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeyZZCONVHRHRBWNP-UHFFFAOYSA-J
XLogP0.16
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500829.70
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
CID 139092966
Dicopper;tetrakis(2-fluorobenzoate);bis(2-fluorobenzoic acid)
CID 139036983
Dicopper;urea;tetrabenzoate
CID 139055574
dicopper;bis(N,N-dimethylformamide);tetrabenzoate
CID 139134266
Tetrakis(2,3-difluorobenzoate);oxolane;bis(ruthenium(2+))
CID 139166055
Bis(chromium(2+));tetrakis(2,3-difluorobenzoate);oxolane
CID 139173869
dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
CID 139194735
dicopper;hexakis(N,N-dimethylformamide);tetrakis(4-iodobenzoate)
CID 139196840
dicopper;tetrakis(2-chlorobenzoate);bis(N,N-dimethylformamide)
CID 139207516
Tetrakis(mu-2,6-difluorobenzoato-kappa^2^O:O')bis[aquacopper(II)]
CID 168309142
Di-mu-benzoato-kappa^3^O,O':O';kappa^3^O:O,O'-bis[aquabis(benzoato-kappa^2^O,O')(dimethylformamide-kappaO)europium(III)]
CID 168310114
tetracopper;tetrakis(3-[2-[3-[2-(3-carboxylatophenyl)ethynyl]phenyl]ethynyl]benzoate);tetrakis(N,N-dimethylformamide)
CID 168350387

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)?
The IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate) (CID 139042107) is dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate).
What is the SMILES notation for dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)?
The canonical SMILES for dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate) is CN(C)C=O.CN(C)C=O.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;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)?
The InChIKey is ZZCONVHRHRBWNP-UHFFFAOYSA-J. The full InChI is InChI=1S/4C7H5FO2.2C3H7NO.2Cu/c4*8-6-4-2-1-3-5(6)7(9)10;2*1-4(2)3-5;;/h4*1-4H,(H,9,10);2*3H,1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate)?
dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate) has a molecular weight of 829.70 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(N,N-dimethylformamide);tetrakis(2-fluorobenzoate) is sourced from PubChem (CID 139042107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).