potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate

C7F12KNO3 — CID 4220247

IUPACpotassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
SMILESO=C([O-])C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.[K+]
InChIInChI=1S/C7HF12NO3.K/c8-2(9,1(21)22)3(10,11)20-4(12,13)6(16,17)23-7(18,19)5(20,14)15;/h(H,21,22);/q;+1/p-1
InChIKeyQKURHTKJHUSSJB-UHFFFAOYSA-M
MW413.16 g/mol
LogP-1.33
Rot. Bonds3

About potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate

potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate (PubChem CID 4220247) has the molecular formula C7F12KNO3 and a molecular weight of 413.16 g/mol. Its IUPAC name is potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate.

Molecular Properties

Compound Namepotassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
PubChem CID4220247
Molecular FormulaC7F12KNO3
Molecular Weight413.16 g/mol
Exact Mass412.93
IUPAC Namepotassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
SMILESO=C([O-])C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.[K+]
InChIInChI=1S/C7HF12NO3.K/c8-2(9,1(21)22)3(10,11)20-4(12,13)6(16,17)23-7(18,19)5(20,14)15;/h(H,21,22);/q;+1/p-1
InChIKeyQKURHTKJHUSSJB-UHFFFAOYSA-M
XLogP-1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate with MolForge

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Related Compounds

azanium 2,2,3,4,4,4-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butanoate
CID 129185151
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428
potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
CID 3767193
2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 135365570
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
CID 173339181
2,2,3,3,5,6,6-heptafluoro-4,5-bis(trifluoromethyl)morpholine
CID 142664628
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306
potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate
CID 5235810
3-[[2,2,3,4,4,4-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butanoyl]amino]propanoic acid
CID 130266645
3-[[2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropanoyl]amino]propyl-dimethyl-(3-sulfopropyl)azanium
CID 141475317
4-iodobutyl 2,2-difluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetate
CID 172773938

Frequently Asked Questions

What is the IUPAC name of potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate?
The IUPAC name of potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate (CID 4220247) is potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate.
What is the SMILES notation for potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate?
The canonical SMILES for potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate is O=C([O-])C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.[K+].
What is the InChIKey of potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate?
The InChIKey is QKURHTKJHUSSJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF12NO3.K/c8-2(9,1(21)22)3(10,11)20-4(12,13)6(16,17)23-7(18,19)5(20,14)15;/h(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate?
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate has a molecular weight of 413.16 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate is sourced from PubChem (CID 4220247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).