5-fluoro-3-oxopentanal

C5H7FO2 — CID 151833654

IUPAC5-fluoro-3-oxopentanal
SMILESO=CCC(=O)CCF
InChIInChI=1S/C5H7FO2/c6-3-1-5(8)2-4-7/h4H,1-3H2
InChIKeySFEUVZGLLDEZHV-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.50
Rot. Bonds4

About 5-fluoro-3-oxopentanal

5-fluoro-3-oxopentanal (PubChem CID 151833654) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 5-fluoro-3-oxopentanal.

Molecular Properties

Compound Name5-fluoro-3-oxopentanal
PubChem CID151833654
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name5-fluoro-3-oxopentanal
SMILESO=CCC(=O)CCF
InChIInChI=1S/C5H7FO2/c6-3-1-5(8)2-4-7/h4H,1-3H2
InChIKeySFEUVZGLLDEZHV-UHFFFAOYSA-N
XLogP0.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-oxopentanal?
The IUPAC name of 5-fluoro-3-oxopentanal (CID 151833654) is 5-fluoro-3-oxopentanal.
What is the SMILES notation for 5-fluoro-3-oxopentanal?
The canonical SMILES for 5-fluoro-3-oxopentanal is O=CCC(=O)CCF.
What is the InChIKey of 5-fluoro-3-oxopentanal?
The InChIKey is SFEUVZGLLDEZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-3-1-5(8)2-4-7/h4H,1-3H2.
What are the key properties of 5-fluoro-3-oxopentanal?
5-fluoro-3-oxopentanal has a molecular weight of 118.11 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-oxopentanal is sourced from PubChem (CID 151833654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).