potassium (E)-2-(2-fluorophenyl)ethenesulfonate

C8H6FKO3S — CID 138974448

IUPACpotassium (E)-2-(2-fluorophenyl)ethenesulfonate
SMILESO=S(=O)([O-])/C=C/c1ccccc1F.[K+]
InChIInChI=1S/C8H7FO3S.K/c9-8-4-2-1-3-7(8)5-6-13(10,11)12;/h1-6H,(H,10,11,12);/q;+1/p-1/b6-5+;
InChIKeyQMKZVJSVPLIAJT-IPZCTEOASA-M
MW240.30 g/mol
LogP-1.65
Rot. Bonds2

About potassium (E)-2-(2-fluorophenyl)ethenesulfonate

potassium (E)-2-(2-fluorophenyl)ethenesulfonate (PubChem CID 138974448) has the molecular formula C8H6FKO3S and a molecular weight of 240.30 g/mol. Its IUPAC name is potassium (E)-2-(2-fluorophenyl)ethenesulfonate.

Molecular Properties

Compound Namepotassium (E)-2-(2-fluorophenyl)ethenesulfonate
PubChem CID138974448
Molecular FormulaC8H6FKO3S
Molecular Weight240.30 g/mol
Exact Mass239.97
IUPAC Namepotassium (E)-2-(2-fluorophenyl)ethenesulfonate
SMILESO=S(=O)([O-])/C=C/c1ccccc1F.[K+]
InChIInChI=1S/C8H7FO3S.K/c9-8-4-2-1-3-7(8)5-6-13(10,11)12;/h1-6H,(H,10,11,12);/q;+1/p-1/b6-5+;
InChIKeyQMKZVJSVPLIAJT-IPZCTEOASA-M
XLogP-1.65
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)prop-2-ene-1-sulfonyl chloride
CID 83715559
potassium trifluoro-[(E)-2-(2-fluorophenyl)ethenyl]boranuide
CID 131232563
[(E)-2-(2-fluorophenyl)ethenyl]-imino-(5-methoxy-2-pyridinyl)-oxo-λ6-sulfane
CID 170607300
1-fluoro-2-[(Z)-2-phenylethenyl]benzene
CID 46218050
potassium;ethenesulfonic acid;2-phenylethenesulfonate
CID 172779366
4-(2-fluorophenyl)-1-phenylbut-3-ene-1,2-dione
CID 71861127
(2-fluorophenyl)methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 90940160
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
CID 84820301
1,4-difluoro-2-[(E)-2-(2-fluorophenyl)ethenyl]benzene
CID 134146382
1-but-1-en-3-ynyl-2-fluorobenzene
CID 123247882
(E)-3-(2-fluorophenyl)prop-2-enenitrile
CID 11062531
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551

Frequently Asked Questions

What is the IUPAC name of potassium (E)-2-(2-fluorophenyl)ethenesulfonate?
The IUPAC name of potassium (E)-2-(2-fluorophenyl)ethenesulfonate (CID 138974448) is potassium (E)-2-(2-fluorophenyl)ethenesulfonate.
What is the SMILES notation for potassium (E)-2-(2-fluorophenyl)ethenesulfonate?
The canonical SMILES for potassium (E)-2-(2-fluorophenyl)ethenesulfonate is O=S(=O)([O-])/C=C/c1ccccc1F.[K+].
What is the InChIKey of potassium (E)-2-(2-fluorophenyl)ethenesulfonate?
The InChIKey is QMKZVJSVPLIAJT-IPZCTEOASA-M. The full InChI is InChI=1S/C8H7FO3S.K/c9-8-4-2-1-3-7(8)5-6-13(10,11)12;/h1-6H,(H,10,11,12);/q;+1/p-1/b6-5+;.
What are the key properties of potassium (E)-2-(2-fluorophenyl)ethenesulfonate?
potassium (E)-2-(2-fluorophenyl)ethenesulfonate has a molecular weight of 240.30 g/mol, XLogP of -1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (E)-2-(2-fluorophenyl)ethenesulfonate is sourced from PubChem (CID 138974448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).