2-[(E)-2-fluoroethenyl]benzenesulfonic acid

C8H7FO3S — CID 87155479

IUPAC2-[(E)-2-fluoroethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1/C=C/F
InChIInChI=1S/C8H7FO3S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-6H,(H,10,11,12)/b6-5+
InChIKeyNYYCZEIPSOHSOX-AATRIKPKSA-N
MW202.21 g/mol
LogP1.87
Rot. Bonds2

About 2-[(E)-2-fluoroethenyl]benzenesulfonic acid

2-[(E)-2-fluoroethenyl]benzenesulfonic acid (PubChem CID 87155479) has the molecular formula C8H7FO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-[(E)-2-fluoroethenyl]benzenesulfonic acid.

Molecular Properties

Compound Name2-[(E)-2-fluoroethenyl]benzenesulfonic acid
PubChem CID87155479
Molecular FormulaC8H7FO3S
Molecular Weight202.21 g/mol
Exact Mass202.01
IUPAC Name2-[(E)-2-fluoroethenyl]benzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1/C=C/F
InChIInChI=1S/C8H7FO3S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-6H,(H,10,11,12)/b6-5+
InChIKeyNYYCZEIPSOHSOX-AATRIKPKSA-N
XLogP1.87
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylbenzenesulfonic acid
CID 161490655
lithium;2-ethenylbenzenesulfonic acid;hydride
CID 173052957
2-(4-bromobut-1-enyl)benzenesulfonic acid
CID 170498536
2-[2-[4-[4-(2-phenylethenyl)phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 58971886
2-[(E)-2-(4-aminophenyl)ethenyl]benzenesulfonic acid
CID 11448748
disodium;hydride;2-[(E)-2-(2-phenylphenyl)ethenyl]benzenesulfonic acid
CID 173092772
2-[(E)-2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 131989084
1,2,3-tris(2-fluoroethenyl)benzene
CID 57216833
5-azido-2-[2-(4-azido-2-sulfophenyl)ethenyl]benzenesulfonic acid;2-[2-(2-sulfophenyl)ethenyl]benzenesulfonic acid
CID 162135008
1-methoxy-2-[(E)-2-[4-[4-[(E)-2-(2-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene;2-[(E)-2-[4-[4-[(E)-2-(2-sulfophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonic acid
CID 165096069
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872
benzene;2-fluorobenzenesulfonic acid
CID 174946544

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-fluoroethenyl]benzenesulfonic acid?
The IUPAC name of 2-[(E)-2-fluoroethenyl]benzenesulfonic acid (CID 87155479) is 2-[(E)-2-fluoroethenyl]benzenesulfonic acid.
What is the SMILES notation for 2-[(E)-2-fluoroethenyl]benzenesulfonic acid?
The canonical SMILES for 2-[(E)-2-fluoroethenyl]benzenesulfonic acid is O=S(=O)(O)c1ccccc1/C=C/F.
What is the InChIKey of 2-[(E)-2-fluoroethenyl]benzenesulfonic acid?
The InChIKey is NYYCZEIPSOHSOX-AATRIKPKSA-N. The full InChI is InChI=1S/C8H7FO3S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-6H,(H,10,11,12)/b6-5+.
What are the key properties of 2-[(E)-2-fluoroethenyl]benzenesulfonic acid?
2-[(E)-2-fluoroethenyl]benzenesulfonic acid has a molecular weight of 202.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-fluoroethenyl]benzenesulfonic acid is sourced from PubChem (CID 87155479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).