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

C6H2F8KNO2 — CID 23717381

IUPACpotassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate
SMILESO=C([O-])CN1C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C6H3F8NO2.K/c7-3(8)4(9,10)6(13,14)15(1-2(16)17)5(3,11)12;/h1H2,(H,16,17);/q;+1/p-1
InChIKeyHRCRJZDVDUJBOS-UHFFFAOYSA-M
MW311.17 g/mol
LogP-2.49
Rot. Bonds2

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

potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate (PubChem CID 23717381) has the molecular formula C6H2F8KNO2 and a molecular weight of 311.17 g/mol. Its IUPAC name is potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namepotassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate
PubChem CID23717381
Molecular FormulaC6H2F8KNO2
Molecular Weight311.17 g/mol
Exact Mass310.96
IUPAC Namepotassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate
SMILESO=C([O-])CN1C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C6H3F8NO2.K/c7-3(8)4(9,10)6(13,14)15(1-2(16)17)5(3,11)12;/h1H2,(H,16,17);/q;+1/p-1
InChIKeyHRCRJZDVDUJBOS-UHFFFAOYSA-M
XLogP-2.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 5-2.49
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'}

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Related Compounds

2-(2,2,3,3,4,4,5,5-Octafluoropyrrolidin-1-yl)acetic acid
CID 23370839
1-Pyrrolidineacetic acid, 3,3,4,4-tetrafluoro-
CID 58920682
Potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate
CID 67768070
Potassium 2,2-difluoro-2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate
CID 88411472
2-(3,3-Difluoropyrrolidin-1-yl)acetic acid
CID 89051258
Lithium 2-(3,3-difluoropyrrolidin-1-yl)acetate
CID 171786986
2,2-Difluoro-2-pyrrolidin-1-ylacetic acid
CID 67768071

Frequently Asked Questions

What is the IUPAC name of potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate?
The IUPAC name of potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate (CID 23717381) is potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate.
What is the SMILES notation for potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate?
The canonical SMILES for potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate is O=C([O-])CN1C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+].
What is the InChIKey of potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate?
The InChIKey is HRCRJZDVDUJBOS-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F8NO2.K/c7-3(8)4(9,10)6(13,14)15(1-2(16)17)5(3,11)12;/h1H2,(H,16,17);/q;+1/p-1.
What are the key properties of potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate?
potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate has a molecular weight of 311.17 g/mol, XLogP of -2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)acetate is sourced from PubChem (CID 23717381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).