potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate

C6H8F2KNO2 — CID 67768070

IUPACpotassium 2,2-difluoro-2-pyrrolidin-1-ylacetate
SMILESO=C([O-])C(F)(F)N1CCCC1.[K+]
InChIInChI=1S/C6H9F2NO2.K/c7-6(8,5(10)11)9-3-1-2-4-9;/h1-4H2,(H,10,11);/q;+1/p-1
InChIKeyPMYJZBRXDUONKX-UHFFFAOYSA-M
MW203.23 g/mol
LogP-3.57
Rot. Bonds2

About potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate

potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate (PubChem CID 67768070) has the molecular formula C6H8F2KNO2 and a molecular weight of 203.23 g/mol. Its IUPAC name is potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Namepotassium 2,2-difluoro-2-pyrrolidin-1-ylacetate
PubChem CID67768070
Molecular FormulaC6H8F2KNO2
Molecular Weight203.23 g/mol
Exact Mass203.02
IUPAC Namepotassium 2,2-difluoro-2-pyrrolidin-1-ylacetate
SMILESO=C([O-])C(F)(F)N1CCCC1.[K+]
InChIInChI=1S/C6H9F2NO2.K/c7-6(8,5(10)11)9-3-1-2-4-9;/h1-4H2,(H,10,11);/q;+1/p-1
InChIKeyPMYJZBRXDUONKX-UHFFFAOYSA-M
XLogP-3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 5-3.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate?
The IUPAC name of potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate (CID 67768070) is potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate?
The canonical SMILES for potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate is O=C([O-])C(F)(F)N1CCCC1.[K+].
What is the InChIKey of potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate?
The InChIKey is PMYJZBRXDUONKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H9F2NO2.K/c7-6(8,5(10)11)9-3-1-2-4-9;/h1-4H2,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate?
potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate has a molecular weight of 203.23 g/mol, XLogP of -3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,2-difluoro-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 67768070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).