dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate

C8F12K2O6 — CID 25110976

IUPACdipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(OC(F)(OC(F)(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)(F)F.[K+].[K+]
InChIInChI=1S/C8H2F12O6.2K/c9-3(1(21)22,5(11,12)13)25-8(20,7(17,18)19)26-4(10,2(23)24)6(14,15)16;;/h(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKeyMWSBYPBJPBJURY-UHFFFAOYSA-L
MW498.25 g/mol
LogP-5.83
Rot. Bonds6

About dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate

dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate (PubChem CID 25110976) has the molecular formula C8F12K2O6 and a molecular weight of 498.25 g/mol. Its IUPAC name is dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Namedipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate
PubChem CID25110976
Molecular FormulaC8F12K2O6
Molecular Weight498.25 g/mol
Exact Mass497.88
IUPAC Namedipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate
SMILESO=C([O-])C(F)(OC(F)(OC(F)(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)(F)F.[K+].[K+]
InChIInChI=1S/C8H2F12O6.2K/c9-3(1(21)22,5(11,12)13)25-8(20,7(17,18)19)26-4(10,2(23)24)6(14,15)16;;/h(H,21,22)(H,23,24);;/q;2*+1/p-2
InChIKeyMWSBYPBJPBJURY-UHFFFAOYSA-L
XLogP-5.83
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.25
LogP ≤ 5-5.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 51342034
lithium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 23719472
sodium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 3765118
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
azanium 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)propanoate
CID 138396479
potassium 2,3,3,3-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]propanoate
CID 122684174
potassium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoate
CID 23693894
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate?
The IUPAC name of dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate (CID 25110976) is dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate is O=C([O-])C(F)(OC(F)(OC(F)(C(=O)[O-])C(F)(F)F)C(F)(F)F)C(F)(F)F.[K+].[K+].
What is the InChIKey of dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate?
The InChIKey is MWSBYPBJPBJURY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H2F12O6.2K/c9-3(1(21)22,5(11,12)13)25-8(20,7(17,18)19)26-4(10,2(23)24)6(14,15)16;;/h(H,21,22)(H,23,24);;/q;2*+1/p-2.
What are the key properties of dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate?
dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate has a molecular weight of 498.25 g/mol, XLogP of -5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-[1-(1-carboxylato-1,2,2,2-tetrafluoroethoxy)-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 25110976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).