copper 2,2,3,3,4,4,5,5-octafluorohexanedioate

C6CuF8O4 — CID 175584674

IUPACcopper 2,2,3,3,4,4,5,5-octafluorohexanedioate
SMILESO=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[Cu+2]
InChIInChI=1S/C6H2F8O4.Cu/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18;/h(H,15,16)(H,17,18);/q;+2/p-2
InChIKeyOEFHRTUTFPORPC-UHFFFAOYSA-L
MW351.59 g/mol
LogP-0.98
Rot. Bonds5

About copper 2,2,3,3,4,4,5,5-octafluorohexanedioate

copper 2,2,3,3,4,4,5,5-octafluorohexanedioate (PubChem CID 175584674) has the molecular formula C6CuF8O4 and a molecular weight of 351.59 g/mol. Its IUPAC name is copper 2,2,3,3,4,4,5,5-octafluorohexanedioate.

Molecular Properties

Compound Namecopper 2,2,3,3,4,4,5,5-octafluorohexanedioate
PubChem CID175584674
Molecular FormulaC6CuF8O4
Molecular Weight351.59 g/mol
Exact Mass350.90
IUPAC Namecopper 2,2,3,3,4,4,5,5-octafluorohexanedioate
SMILESO=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[Cu+2]
InChIInChI=1S/C6H2F8O4.Cu/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18;/h(H,15,16)(H,17,18);/q;+2/p-2
InChIKeyOEFHRTUTFPORPC-UHFFFAOYSA-L
XLogP-0.98
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 22174013
lithium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 23704960
potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 4253803
CID 71299621
CID 71299621
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)
CID 159937984
2,2,3,3,4,4-hexafluoro-4-(pentafluoro-λ6-sulfanyl)butanoate
CID 171040270
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate);piperazine-1,4-diium
CID 165339393
ethylazanium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecanoate
CID 165363434
sodium 2,2,3,3,4,4,7,7,7-nonafluoroheptanoate
CID 139946957
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543

Frequently Asked Questions

What is the IUPAC name of copper 2,2,3,3,4,4,5,5-octafluorohexanedioate?
The IUPAC name of copper 2,2,3,3,4,4,5,5-octafluorohexanedioate (CID 175584674) is copper 2,2,3,3,4,4,5,5-octafluorohexanedioate.
What is the SMILES notation for copper 2,2,3,3,4,4,5,5-octafluorohexanedioate?
The canonical SMILES for copper 2,2,3,3,4,4,5,5-octafluorohexanedioate is O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[Cu+2].
What is the InChIKey of copper 2,2,3,3,4,4,5,5-octafluorohexanedioate?
The InChIKey is OEFHRTUTFPORPC-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H2F8O4.Cu/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18;/h(H,15,16)(H,17,18);/q;+2/p-2.
What are the key properties of copper 2,2,3,3,4,4,5,5-octafluorohexanedioate?
copper 2,2,3,3,4,4,5,5-octafluorohexanedioate has a molecular weight of 351.59 g/mol, XLogP of -0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2,2,3,3,4,4,5,5-octafluorohexanedioate is sourced from PubChem (CID 175584674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).