potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate

C8H4F10KNO2 — CID 23717380

IUPACpotassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate
SMILESCC(C(=O)[O-])N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C8H5F10NO2.K/c1-2(3(20)21)19-7(15,16)5(11,12)4(9,10)6(13,14)8(19,17)18;/h2H,1H3,(H,20,21);/q;+1/p-1
InChIKeyWASBJVQJGJWBJJ-UHFFFAOYSA-M
MW375.20 g/mol
LogP-1.46
Rot. Bonds2

About potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate

potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate (PubChem CID 23717380) has the molecular formula C8H4F10KNO2 and a molecular weight of 375.20 g/mol. Its IUPAC name is potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate.

Molecular Properties

Compound Namepotassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate
PubChem CID23717380
Molecular FormulaC8H4F10KNO2
Molecular Weight375.20 g/mol
Exact Mass374.97
IUPAC Namepotassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate
SMILESCC(C(=O)[O-])N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+]
InChIInChI=1S/C8H5F10NO2.K/c1-2(3(20)21)19-7(15,16)5(11,12)4(9,10)6(13,14)8(19,17)18;/h2H,1H3,(H,20,21);/q;+1/p-1
InChIKeyWASBJVQJGJWBJJ-UHFFFAOYSA-M
XLogP-1.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.20
LogP ≤ 5-1.46
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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Frequently Asked Questions

What is the IUPAC name of potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate?
The IUPAC name of potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate (CID 23717380) is potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate.
What is the SMILES notation for potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate?
The canonical SMILES for potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate is CC(C(=O)[O-])N1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[K+].
What is the InChIKey of potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate?
The InChIKey is WASBJVQJGJWBJJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5F10NO2.K/c1-2(3(20)21)19-7(15,16)5(11,12)4(9,10)6(13,14)8(19,17)18;/h2H,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate?
potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate has a molecular weight of 375.20 g/mol, XLogP of -1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(2,2,3,3,4,4,5,5,6,6-decafluoropiperidin-1-yl)propanoate is sourced from PubChem (CID 23717380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).