3-fluoro-5-oxopent-4-enoic acid

C5H5FO3 — CID 57047317

IUPAC3-fluoro-5-oxopent-4-enoic acid
SMILESO=C=CC(F)CC(=O)O
InChIInChI=1S/C5H5FO3/c6-4(1-2-7)3-5(8)9/h1,4H,3H2,(H,8,9)
InChIKeyGLUABSZWDZYZNY-UHFFFAOYSA-N
MW132.09 g/mol
LogP0.19
Rot. Bonds3

About 3-fluoro-5-oxopent-4-enoic acid

3-fluoro-5-oxopent-4-enoic acid (PubChem CID 57047317) has the molecular formula C5H5FO3 and a molecular weight of 132.09 g/mol. Its IUPAC name is 3-fluoro-5-oxopent-4-enoic acid.

Molecular Properties

Compound Name3-fluoro-5-oxopent-4-enoic acid
PubChem CID57047317
Molecular FormulaC5H5FO3
Molecular Weight132.09 g/mol
Exact Mass132.02
IUPAC Name3-fluoro-5-oxopent-4-enoic acid
SMILESO=C=CC(F)CC(=O)O
InChIInChI=1S/C5H5FO3/c6-4(1-2-7)3-5(8)9/h1,4H,3H2,(H,8,9)
InChIKeyGLUABSZWDZYZNY-UHFFFAOYSA-N
XLogP0.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-3-fluoropropanoic acid
CID 10986714
3-(2-oxoethenoxy)butanoic acid
CID 173327753
4-oxo-2-(2-oxoethyl)but-3-enoic acid
CID 174726146
(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
CID 155906053
3,4,4,4-tetrafluorobutanoic acid
CID 83856312
1-fluoropropane-1,2,3-tricarboxylic acid
CID 71324460
3,4-difluorohexanoic acid
CID 87326869
(3R)-4-(18F)fluoro-3-hydroxybutanoic acid
CID 172854074
azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
butanedioic acid;fluoroform
CID 159416748
3-iodohexanoic acid
CID 18000330
3,3-dicyanopropanoic acid
CID 22288491

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-oxopent-4-enoic acid?
The IUPAC name of 3-fluoro-5-oxopent-4-enoic acid (CID 57047317) is 3-fluoro-5-oxopent-4-enoic acid.
What is the SMILES notation for 3-fluoro-5-oxopent-4-enoic acid?
The canonical SMILES for 3-fluoro-5-oxopent-4-enoic acid is O=C=CC(F)CC(=O)O.
What is the InChIKey of 3-fluoro-5-oxopent-4-enoic acid?
The InChIKey is GLUABSZWDZYZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO3/c6-4(1-2-7)3-5(8)9/h1,4H,3H2,(H,8,9).
What are the key properties of 3-fluoro-5-oxopent-4-enoic acid?
3-fluoro-5-oxopent-4-enoic acid has a molecular weight of 132.09 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-oxopent-4-enoic acid is sourced from PubChem (CID 57047317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).