dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate

C6F8K2O4 — CID 71669306

IUPACdipotassium;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-].[K+].[K+]
InChIInChI=1S/C6H2F8O4.2K/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*+1/p-2
InChIKeyZQNYDXPKDSLMHA-UHFFFAOYSA-L
MW366.24 g/mol
LogP-6.96
Rot. Bonds5

About dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate

dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate (PubChem CID 71669306) has the molecular formula C6F8K2O4 and a molecular weight of 366.24 g/mol. Its IUPAC name is dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate.

Molecular Properties

Compound Namedipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
PubChem CID71669306
Molecular FormulaC6F8K2O4
Molecular Weight366.24 g/mol
Exact Mass365.89
IUPAC Namedipotassium;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-].[K+].[K+]
InChIInChI=1S/C6H2F8O4.2K/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*+1/p-2
InChIKeyZQNYDXPKDSLMHA-UHFFFAOYSA-L
XLogP-6.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 5-6.96
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

copper 2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 175584674
potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 4253803
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
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
CID 71299621
CID 71299621
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
potassium 2,2,3,3,4,4,5,5,6-nonafluorodecanoate
CID 175345663

Frequently Asked Questions

What is the IUPAC name of dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate?
The IUPAC name of dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate (CID 71669306) is dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate.
What is the SMILES notation for dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate?
The canonical SMILES for dipotassium;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-].[K+].[K+].
What is the InChIKey of dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate?
The InChIKey is ZQNYDXPKDSLMHA-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H2F8O4.2K/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*+1/p-2.
What are the key properties of dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate?
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate has a molecular weight of 366.24 g/mol, XLogP of -6.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate is sourced from PubChem (CID 71669306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).