potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate

C7F11KO4 — CID 140580119

IUPACpotassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESO=C([O-])C1(C(F)(F)F)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.[K+]
InChIInChI=1S/C7HF11O4.K/c8-3(6(13,14)15)4(9,7(16,17)18)22-2(21-3,1(19)20)5(10,11)12;/h(H,19,20);/q;+1/p-1
InChIKeyZPKOORFXYNLKKZ-UHFFFAOYSA-M
MW396.15 g/mol
LogP-1.50
Rot. Bonds1

About potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate

potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate (PubChem CID 140580119) has the molecular formula C7F11KO4 and a molecular weight of 396.15 g/mol. Its IUPAC name is potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate.

Molecular Properties

Compound Namepotassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate
PubChem CID140580119
Molecular FormulaC7F11KO4
Molecular Weight396.15 g/mol
Exact Mass395.93
IUPAC Namepotassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate
SMILESO=C([O-])C1(C(F)(F)F)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.[K+]
InChIInChI=1S/C7HF11O4.K/c8-3(6(13,14)15)4(9,7(16,17)18)22-2(21-3,1(19)20)5(10,11)12;/h(H,19,20);/q;+1/p-1
InChIKeyZPKOORFXYNLKKZ-UHFFFAOYSA-M
XLogP-1.50
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.15
LogP ≤ 5-1.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylic acid
CID 86017593
fluoro 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 59086773
2,2,3,3,5,6-hexafluoro-5,6-bis(trifluoromethyl)-1,4-dioxane
CID 54145359
sulfuric acid;2,2,3-trifluoro-3-(trifluoromethyl)oxirane
CID 87965023
2,3-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)oxirane
CID 12520925
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 4220247
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
2-ethyl-4,5-difluoro-2-methyl-4,5-bis(trifluoromethyl)-1,3-dioxolane
CID 170016088
4-[difluoro(1,1,2,2-tetrafluoropropoxy)methyl]-4,5,5-trifluoro-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 59297117
2-chloro-3-fluoro-2,3-bis(trifluoromethyl)oxirane
CID 14045703
[[4,4-difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolan-2-yl]-difluoromethyl] 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 89224575
(2R,4R)-4-fluoro-5-oxo-2,4-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 98047390

Frequently Asked Questions

What is the IUPAC name of potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The IUPAC name of potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate (CID 140580119) is potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate.
What is the SMILES notation for potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The canonical SMILES for potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate is O=C([O-])C1(C(F)(F)F)OC(F)(C(F)(F)F)C(F)(C(F)(F)F)O1.[K+].
What is the InChIKey of potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
The InChIKey is ZPKOORFXYNLKKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF11O4.K/c8-3(6(13,14)15)4(9,7(16,17)18)22-2(21-3,1(19)20)5(10,11)12;/h(H,19,20);/q;+1/p-1.
What are the key properties of potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate?
potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate has a molecular weight of 396.15 g/mol, XLogP of -1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,5-difluoro-2,4,5-tris(trifluoromethyl)-1,3-dioxolane-2-carboxylate is sourced from PubChem (CID 140580119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).