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

C8H7F9KNO4S — CID 23677337

IUPACpotassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C8H8F9NO4S.K/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;/h2-3H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyIOVJPAWFAJXXKU-UHFFFAOYSA-M
MW423.29 g/mol
LogP-2.18
Rot. Bonds7

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

potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate (PubChem CID 23677337) has the molecular formula C8H7F9KNO4S and a molecular weight of 423.29 g/mol. Its IUPAC name is potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate.

Molecular Properties

Compound Namepotassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate
PubChem CID23677337
Molecular FormulaC8H7F9KNO4S
Molecular Weight423.29 g/mol
Exact Mass422.96
IUPAC Namepotassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate
SMILESCCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
InChIInChI=1S/C8H8F9NO4S.K/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;/h2-3H2,1H3,(H,19,20);/q;+1/p-1
InChIKeyIOVJPAWFAJXXKU-UHFFFAOYSA-M
XLogP-2.18
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.29
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate with MolForge

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Related Compounds

potassium N-perfluorooctylsulfonyl-N-ethylglycinate
CID 23691014
Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-
CID 105441
N-ethyl-N-((undecafluoropentyl)sulphonyl)glycine
CID 105443
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-
CID 105445
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)sulfonyl)-
CID 105456
Potassium N-[(heptadecafluorooctyl)sulphonyl]-N-propylglycinate
CID 23673599
Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)sulfonyl]-, potassium salt (1:1)
CID 23677338
Glycine, N-ethyl-N-((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)-, potassium salt (1:1)
CID 23677339
glycine, n-ethyl-n-((pentadecafluoroheptyl)sulfonyl)-, potassium salt
CID 23677340
N-Methyl-N-((perfluorobutyl)sulfonyl)glycine
CID 22286935
MeFHxSAA
CID 87481295
Glycine, N-ethyl-N-[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]-, ethyl ester
CID 105457

Frequently Asked Questions

What is the IUPAC name of potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate?
The IUPAC name of potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate (CID 23677337) is potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate.
What is the SMILES notation for potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate?
The canonical SMILES for potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate is CCN(CC(=O)[O-])S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].
What is the InChIKey of potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate?
The InChIKey is IOVJPAWFAJXXKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8F9NO4S.K/c1-2-18(3-4(19)20)23(21,22)8(16,17)6(11,12)5(9,10)7(13,14)15;/h2-3H2,1H3,(H,19,20);/q;+1/p-1.
What are the key properties of potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate?
potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate has a molecular weight of 423.29 g/mol, XLogP of -2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]acetate is sourced from PubChem (CID 23677337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).