potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate

C7F12KNO2 — CID 5235810

IUPACpotassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate
SMILESO=C([O-])C(F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C7HF12NO2.K/c8-2(1(21)22,5(13,14)15)20-6(16,17)3(9,10)4(11,12)7(20,18)19;/h(H,21,22);/q;+1/p-1
InChIKeyCTZFJFXRFCRSSJ-UHFFFAOYSA-M
MW397.16 g/mol
LogP-1.26
Rot. Bonds2

About potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate

potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate (PubChem CID 5235810) has the molecular formula C7F12KNO2 and a molecular weight of 397.16 g/mol. Its IUPAC name is potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namepotassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate
PubChem CID5235810
Molecular FormulaC7F12KNO2
Molecular Weight397.16 g/mol
Exact Mass396.94
IUPAC Namepotassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate
SMILESO=C([O-])C(F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.[K+]
InChIInChI=1S/C7HF12NO2.K/c8-2(1(21)22,5(13,14)15)20-6(16,17)3(9,10)4(11,12)7(20,18)19;/h(H,21,22);/q;+1/p-1
InChIKeyCTZFJFXRFCRSSJ-UHFFFAOYSA-M
XLogP-1.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.16
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate with MolForge

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Related Compounds

(2S)-2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoic acid
CID 98130159
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroazepan-1-yl)-2,3,3,3-tetrafluoropropanoyl fluoride
CID 14249747
potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
CID 3767193
3,3,3-trifluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)-2-(trifluoromethyl)propanoic acid
CID 88649885
2,2,3,3,4,4,5,5,6,6-decafluoro-1-(trifluoromethyl)piperidine
CID 2776242
Sodium 3-(2,2,3,3,4,4,5,5,6,6-decafluoro-1-piperidinyl)-2,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 126957410
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 4220247
2-[2,2,3,3,5,5,6,6,7,7-decafluoro-4-(trifluoromethyl)-1,4-diazepan-1-yl]-2,2-difluoroacetyl fluoride
CID 91695023
potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
azanium 2,2,3,4,4,4-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butanoate
CID 129185151
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
sodium 6-[[2-[(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)-difluoromethyl]-2,3,3,3-tetrafluoropropanoyl]amino]hexanoate
CID 130238272

Frequently Asked Questions

What is the IUPAC name of potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate?
The IUPAC name of potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate (CID 5235810) is potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate.
What is the SMILES notation for potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate?
The canonical SMILES for potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate is O=C([O-])C(F)(N1C(F)(F)C(F)(F)C(F)(F)C1(F)F)C(F)(F)F.[K+].
What is the InChIKey of potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate?
The InChIKey is CTZFJFXRFCRSSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7HF12NO2.K/c8-2(1(21)22,5(13,14)15)20-6(16,17)3(9,10)4(11,12)7(20,18)19;/h(H,21,22);/q;+1/p-1.
What are the key properties of potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate?
potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate has a molecular weight of 397.16 g/mol, XLogP of -1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,3,3,3-tetrafluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)propanoate is sourced from PubChem (CID 5235810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).