dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)

C38H30Cu2F12N2O10 — CID 139092966

IUPACdicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.[Cu+2].[Cu+2]
InChIInChI=1S/4C8H5F3O2.2C3H7NO.2Cu/c4*9-8(10,11)6-4-2-1-3-5(6)7(12)13;2*1-4(2)3-5;;/h4*1-4H,(H,12,13);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeySYKBIIVZCXWBDO-UHFFFAOYSA-J
MW1029.73 g/mol
LogP3.68
Rot. Bonds6

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

dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate) (PubChem CID 139092966) has the molecular formula C38H30Cu2F12N2O10 and a molecular weight of 1029.73 g/mol. Its IUPAC name is dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate).

Molecular Properties

Compound Namedicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
PubChem CID139092966
Molecular FormulaC38H30Cu2F12N2O10
Molecular Weight1029.73 g/mol
Exact Mass1028.03
IUPAC Namedicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.[Cu+2].[Cu+2]
InChIInChI=1S/4C8H5F3O2.2C3H7NO.2Cu/c4*9-8(10,11)6-4-2-1-3-5(6)7(12)13;2*1-4(2)3-5;;/h4*1-4H,(H,12,13);2*3H,1-2H3;;/q;;;;;;2*+2/p-4
InChIKeySYKBIIVZCXWBDO-UHFFFAOYSA-J
XLogP3.68
TPSA201.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001029.73
LogP ≤ 53.68
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-fluorobenzoate)
CID 139042107
Tetrakis(mu-2-methylbenzoato-kappa^2^O:O')bis[(methanol-kappaO)copper(II)]
CID 139078733
dicopper;bis(N,N-dimethylformamide);tetrabenzoate
CID 139134266
dicopper;bis(N,N-dimethylformamide);tetrakis(3-iodobenzoate)
CID 139194735
dicopper;hexakis(N,N-dimethylformamide);tetrakis(4-iodobenzoate)
CID 139196840

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)?
The IUPAC name of dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate) (CID 139092966) is dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate).
What is the SMILES notation for dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)?
The canonical SMILES for dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate) is CN(C)C=O.CN(C)C=O.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.O=C([O-])c1ccccc1C(F)(F)F.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)?
The InChIKey is SYKBIIVZCXWBDO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C8H5F3O2.2C3H7NO.2Cu/c4*9-8(10,11)6-4-2-1-3-5(6)7(12)13;2*1-4(2)3-5;;/h4*1-4H,(H,12,13);2*3H,1-2H3;;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate)?
dicopper;bis(N,N-dimethylformamide);tetrakis(2-(trifluoromethyl)benzoate) has a molecular weight of 1029.73 g/mol, XLogP of 3.68, 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-(trifluoromethyl)benzoate) is sourced from PubChem (CID 139092966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).