2-(4-fluorosulfonylphenoxy)acetic acid

C8H7FO5S — CID 23274144

IUPAC2-(4-fluorosulfonylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C8H7FO5S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyOAHYDXIOUOXLML-UHFFFAOYSA-N
MW234.20 g/mol
LogP0.81
Rot. Bonds4

About 2-(4-fluorosulfonylphenoxy)acetic acid

2-(4-fluorosulfonylphenoxy)acetic acid (PubChem CID 23274144) has the molecular formula C8H7FO5S and a molecular weight of 234.20 g/mol. Its IUPAC name is 2-(4-fluorosulfonylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-fluorosulfonylphenoxy)acetic acid
PubChem CID23274144
Molecular FormulaC8H7FO5S
Molecular Weight234.20 g/mol
Exact Mass234.00
IUPAC Name2-(4-fluorosulfonylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C8H7FO5S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKeyOAHYDXIOUOXLML-UHFFFAOYSA-N
XLogP0.81
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorosulfonylphenoxy)acetic acid?
The IUPAC name of 2-(4-fluorosulfonylphenoxy)acetic acid (CID 23274144) is 2-(4-fluorosulfonylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-fluorosulfonylphenoxy)acetic acid?
The canonical SMILES for 2-(4-fluorosulfonylphenoxy)acetic acid is O=C(O)COc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 2-(4-fluorosulfonylphenoxy)acetic acid?
The InChIKey is OAHYDXIOUOXLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO5S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11).
What are the key properties of 2-(4-fluorosulfonylphenoxy)acetic acid?
2-(4-fluorosulfonylphenoxy)acetic acid has a molecular weight of 234.20 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorosulfonylphenoxy)acetic acid is sourced from PubChem (CID 23274144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).