sodium;benzenesulfonate;fluoroethene

C8H8FNaO3S — CID 159746801

IUPACsodium;benzenesulfonate;fluoroethene
SMILESC=CF.O=S(=O)([O-])c1ccccc1.[Na+]
InChIInChI=1S/C6H6O3S.C2H3F.Na/c7-10(8,9)6-4-2-1-3-5-6;1-2-3;/h1-5H,(H,7,8,9);2H,1H2;/q;;+1/p-1
InChIKeyAFVBZMITUZRMBD-UHFFFAOYSA-M
MW226.20 g/mol
LogP-1.31
Rot. Bonds1

About sodium;benzenesulfonate;fluoroethene

sodium;benzenesulfonate;fluoroethene (PubChem CID 159746801) has the molecular formula C8H8FNaO3S and a molecular weight of 226.20 g/mol. Its IUPAC name is sodium;benzenesulfonate;fluoroethene.

Molecular Properties

Compound Namesodium;benzenesulfonate;fluoroethene
PubChem CID159746801
Molecular FormulaC8H8FNaO3S
Molecular Weight226.20 g/mol
Exact Mass226.01
IUPAC Namesodium;benzenesulfonate;fluoroethene
SMILESC=CF.O=S(=O)([O-])c1ccccc1.[Na+]
InChIInChI=1S/C6H6O3S.C2H3F.Na/c7-10(8,9)6-4-2-1-3-5-6;1-2-3;/h1-5H,(H,7,8,9);2H,1H2;/q;;+1/p-1
InChIKeyAFVBZMITUZRMBD-UHFFFAOYSA-M
XLogP-1.31
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-1.31
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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Frequently Asked Questions

What is the IUPAC name of sodium;benzenesulfonate;fluoroethene?
The IUPAC name of sodium;benzenesulfonate;fluoroethene (CID 159746801) is sodium;benzenesulfonate;fluoroethene.
What is the SMILES notation for sodium;benzenesulfonate;fluoroethene?
The canonical SMILES for sodium;benzenesulfonate;fluoroethene is C=CF.O=S(=O)([O-])c1ccccc1.[Na+].
What is the InChIKey of sodium;benzenesulfonate;fluoroethene?
The InChIKey is AFVBZMITUZRMBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S.C2H3F.Na/c7-10(8,9)6-4-2-1-3-5-6;1-2-3;/h1-5H,(H,7,8,9);2H,1H2;/q;;+1/p-1.
What are the key properties of sodium;benzenesulfonate;fluoroethene?
sodium;benzenesulfonate;fluoroethene has a molecular weight of 226.20 g/mol, XLogP of -1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzenesulfonate;fluoroethene is sourced from PubChem (CID 159746801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).