copper bis(4-fluorobenzoate)

C14H8CuF2O4 — CID 70452334

IUPACcopper bis(4-fluorobenzoate)
SMILESO=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.[Cu+2]
InChIInChI=1S/2C7H5FO2.Cu/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2
InChIKeyCTNCZDHICITZGR-UHFFFAOYSA-L
MW341.76 g/mol
LogP0.38
Rot. Bonds2

About copper bis(4-fluorobenzoate)

copper bis(4-fluorobenzoate) (PubChem CID 70452334) has the molecular formula C14H8CuF2O4 and a molecular weight of 341.76 g/mol. Its IUPAC name is copper bis(4-fluorobenzoate).

Molecular Properties

Compound Namecopper bis(4-fluorobenzoate)
PubChem CID70452334
Molecular FormulaC14H8CuF2O4
Molecular Weight341.76 g/mol
Exact Mass340.97
IUPAC Namecopper bis(4-fluorobenzoate)
SMILESO=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.[Cu+2]
InChIInChI=1S/2C7H5FO2.Cu/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2
InChIKeyCTNCZDHICITZGR-UHFFFAOYSA-L
XLogP0.38
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.76
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze copper bis(4-fluorobenzoate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;bis(ethane-1,2-diamine);bis(4-fluorobenzoate);dihydrate
CID 139066859
4-(4-fluorophenoxy)benzoate
CID 7009390
dilithium;terephthalate
CID 14361651
dipotassium;terephthalate
CID 25981
terephthalate;vanadium(4+)
CID 157213578
4-fluorobenzoate;tricyclopentylsulfanium
CID 159401377
azanium;sodium;terephthalate
CID 18352242
copper;bis(4-fluorobenzoate);4-fluorobenzoic acid;bis(pyridine-4-carboxamide)
CID 139081538
disodium;ethene;terephthalate
CID 175257755
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
4-[(2Z)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]benzoate
CID 7761403
dipotassium;4-(4-fluorobenzoyl)benzene-1,3-dicarboxylate
CID 101195591

Frequently Asked Questions

What is the IUPAC name of copper bis(4-fluorobenzoate)?
The IUPAC name of copper bis(4-fluorobenzoate) (CID 70452334) is copper bis(4-fluorobenzoate).
What is the SMILES notation for copper bis(4-fluorobenzoate)?
The canonical SMILES for copper bis(4-fluorobenzoate) is O=C([O-])c1ccc(F)cc1.O=C([O-])c1ccc(F)cc1.[Cu+2].
What is the InChIKey of copper bis(4-fluorobenzoate)?
The InChIKey is CTNCZDHICITZGR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H5FO2.Cu/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,(H,9,10);/q;;+2/p-2.
What are the key properties of copper bis(4-fluorobenzoate)?
copper bis(4-fluorobenzoate) has a molecular weight of 341.76 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(4-fluorobenzoate) is sourced from PubChem (CID 70452334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).