potassium 3-fluoroprop-2-ene-1-sulfonate

C3H4FKO3S — CID 173210407

IUPACpotassium 3-fluoroprop-2-ene-1-sulfonate
SMILESO=S(=O)([O-])CC=CF.[K+]
InChIInChI=1S/C3H5FO3S.K/c4-2-1-3-8(5,6)7;/h1-2H,3H2,(H,5,6,7);/q;+1/p-1
InChIKeyPTOILZWWSPPPIR-UHFFFAOYSA-M
MW178.22 g/mol
LogP-2.98
Rot. Bonds2

About potassium 3-fluoroprop-2-ene-1-sulfonate

potassium 3-fluoroprop-2-ene-1-sulfonate (PubChem CID 173210407) has the molecular formula C3H4FKO3S and a molecular weight of 178.22 g/mol. Its IUPAC name is potassium 3-fluoroprop-2-ene-1-sulfonate.

Molecular Properties

Compound Namepotassium 3-fluoroprop-2-ene-1-sulfonate
PubChem CID173210407
Molecular FormulaC3H4FKO3S
Molecular Weight178.22 g/mol
Exact Mass177.95
IUPAC Namepotassium 3-fluoroprop-2-ene-1-sulfonate
SMILESO=S(=O)([O-])CC=CF.[K+]
InChIInChI=1S/C3H5FO3S.K/c4-2-1-3-8(5,6)7;/h1-2H,3H2,(H,5,6,7);/q;+1/p-1
InChIKeyPTOILZWWSPPPIR-UHFFFAOYSA-M
XLogP-2.98
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 5-2.98
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

potassium (E)-but-2-ene-1-sulfonate
CID 87169242
1-fluoro-3-methylsulfonylprop-1-ene
CID 173170471
sodium (E)-4-chlorobut-2-ene-1-sulfonate
CID 23676090
sodium oct-2-ene-1-sulfonate
CID 140570664
sodium (E)-tritriacont-2-ene-1-sulfonate
CID 102060459
sodium;ethene;prop-2-ene-1-sulfonate
CID 174838535
potassium propane-1-sulfonate
CID 23693600
sodium 3-(dipentylamino)prop-2-ene-1-sulfonate
CID 139688433
erbium(3+);fluoromethanesulfonate
CID 141284700
(Z)-4-(cyclohexylazaniumyl)but-2-ene-1-sulfonate
CID 23271504
1-fluoro-3-sulfamoylsulfanylprop-1-ene
CID 174944681
dilithium;ethane-1,2-disulfonate
CID 87246309

Frequently Asked Questions

What is the IUPAC name of potassium 3-fluoroprop-2-ene-1-sulfonate?
The IUPAC name of potassium 3-fluoroprop-2-ene-1-sulfonate (CID 173210407) is potassium 3-fluoroprop-2-ene-1-sulfonate.
What is the SMILES notation for potassium 3-fluoroprop-2-ene-1-sulfonate?
The canonical SMILES for potassium 3-fluoroprop-2-ene-1-sulfonate is O=S(=O)([O-])CC=CF.[K+].
What is the InChIKey of potassium 3-fluoroprop-2-ene-1-sulfonate?
The InChIKey is PTOILZWWSPPPIR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO3S.K/c4-2-1-3-8(5,6)7;/h1-2H,3H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium 3-fluoroprop-2-ene-1-sulfonate?
potassium 3-fluoroprop-2-ene-1-sulfonate has a molecular weight of 178.22 g/mol, XLogP of -2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-fluoroprop-2-ene-1-sulfonate is sourced from PubChem (CID 173210407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).