4-fluoro-3-hydroxy-2-oxopent-4-enoic acid

C5H5FO4 — CID 123209234

IUPAC4-fluoro-3-hydroxy-2-oxopent-4-enoic acid
SMILESC=C(F)C(O)C(=O)C(=O)O
InChIInChI=1S/C5H5FO4/c1-2(6)3(7)4(8)5(9)10/h3,7H,1H2,(H,9,10)
InChIKeyYLVIDJWZAJGKCA-UHFFFAOYSA-N
MW148.09 g/mol
LogP-0.52
Rot. Bonds3

About 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid

4-fluoro-3-hydroxy-2-oxopent-4-enoic acid (PubChem CID 123209234) has the molecular formula C5H5FO4 and a molecular weight of 148.09 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-2-oxopent-4-enoic acid
PubChem CID123209234
Molecular FormulaC5H5FO4
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name4-fluoro-3-hydroxy-2-oxopent-4-enoic acid
SMILESC=C(F)C(O)C(=O)C(=O)O
InChIInChI=1S/C5H5FO4/c1-2(6)3(7)4(8)5(9)10/h3,7H,1H2,(H,9,10)
InChIKeyYLVIDJWZAJGKCA-UHFFFAOYSA-N
XLogP-0.52
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid?
The IUPAC name of 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid (CID 123209234) is 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid.
What is the SMILES notation for 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid?
The canonical SMILES for 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid is C=C(F)C(O)C(=O)C(=O)O.
What is the InChIKey of 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid?
The InChIKey is YLVIDJWZAJGKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO4/c1-2(6)3(7)4(8)5(9)10/h3,7H,1H2,(H,9,10).
What are the key properties of 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid?
4-fluoro-3-hydroxy-2-oxopent-4-enoic acid has a molecular weight of 148.09 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-2-oxopent-4-enoic acid is sourced from PubChem (CID 123209234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).