potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate

C9H7F11KNO4S — CID 23677338

IUPACpotassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C9H8F11NO4S.K/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;/h2-3H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyVJZIVFKBUDETNE-UHFFFAOYSA-M
MW473.30 g/mol
LogP-1.55
Rot. Bonds8

About potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate

potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate (PubChem CID 23677338) has the molecular formula C9H7F11KNO4S and a molecular weight of 473.30 g/mol. Its IUPAC name is potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate.

Molecular Properties

Compound Namepotassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate
PubChem CID23677338
Molecular FormulaC9H7F11KNO4S
Molecular Weight473.30 g/mol
Exact Mass472.96
IUPAC Namepotassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C9H8F11NO4S.K/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;/h2-3H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyVJZIVFKBUDETNE-UHFFFAOYSA-M
XLogP-1.55
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.30
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate?
The IUPAC name of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate (CID 23677338) is potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate.
What is the SMILES notation for potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate?
The canonical SMILES for potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate is CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate?
The InChIKey is VJZIVFKBUDETNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8F11NO4S.K/c1-2-21(3-4(22)23)26(24,25)9(19,20)7(14,15)5(10,11)6(12,13)8(16,17)18;/h2-3H2,1H3,(H,22,23);/q;+1/p-1.
What are the key properties of potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate?
potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate has a molecular weight of 473.30 g/mol, XLogP of -1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]acetate is sourced from PubChem (CID 23677338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).