4-fluorophthalic acid

C8H5FO4 — CID 15312

IUPAC4-fluorophthalic acid
SMILESO=C(O)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyOMCXTFVBNCFZMY-UHFFFAOYSA-N
MW184.12 g/mol
LogP1.22
Rot. Bonds2

About 4-fluorophthalic acid

4-fluorophthalic acid (PubChem CID 15312) has the molecular formula C8H5FO4 and a molecular weight of 184.12 g/mol. Its IUPAC name is 4-fluorophthalic acid.

Molecular Properties

Compound Name4-fluorophthalic acid
PubChem CID15312
Molecular FormulaC8H5FO4
Molecular Weight184.12 g/mol
Exact Mass184.02
IUPAC Name4-fluorophthalic acid
SMILESO=C(O)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKeyOMCXTFVBNCFZMY-UHFFFAOYSA-N
XLogP1.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.12
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluorophthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluorophthalic acid?
The IUPAC name of 4-fluorophthalic acid (CID 15312) is 4-fluorophthalic acid.
What is the SMILES notation for 4-fluorophthalic acid?
The canonical SMILES for 4-fluorophthalic acid is O=C(O)c1ccc(F)cc1C(=O)O.
What is the InChIKey of 4-fluorophthalic acid?
The InChIKey is OMCXTFVBNCFZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FO4/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13).
What are the key properties of 4-fluorophthalic acid?
4-fluorophthalic acid has a molecular weight of 184.12 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorophthalic acid is sourced from PubChem (CID 15312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).