5-oxopentanoyl fluoride

C5H7FO2 — CID 174458309

IUPAC5-oxopentanoyl fluoride
SMILESO=CCCCC(=O)F
InChIInChI=1S/C5H7FO2/c6-5(8)3-1-2-4-7/h4H,1-3H2
InChIKeyGJWZAPGOGMNYNF-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.85
Rot. Bonds4

About 5-oxopentanoyl fluoride

5-oxopentanoyl fluoride (PubChem CID 174458309) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 5-oxopentanoyl fluoride.

Molecular Properties

Compound Name5-oxopentanoyl fluoride
PubChem CID174458309
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name5-oxopentanoyl fluoride
SMILESO=CCCCC(=O)F
InChIInChI=1S/C5H7FO2/c6-5(8)3-1-2-4-7/h4H,1-3H2
InChIKeyGJWZAPGOGMNYNF-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-oxopentanoyl fluoride 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 5-oxopentanoyl fluoride?
The IUPAC name of 5-oxopentanoyl fluoride (CID 174458309) is 5-oxopentanoyl fluoride.
What is the SMILES notation for 5-oxopentanoyl fluoride?
The canonical SMILES for 5-oxopentanoyl fluoride is O=CCCCC(=O)F.
What is the InChIKey of 5-oxopentanoyl fluoride?
The InChIKey is GJWZAPGOGMNYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-5(8)3-1-2-4-7/h4H,1-3H2.
What are the key properties of 5-oxopentanoyl fluoride?
5-oxopentanoyl fluoride has a molecular weight of 118.11 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopentanoyl fluoride is sourced from PubChem (CID 174458309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).