methyl 3-fluoro-2-oxopentanoate

C6H9FO3 — CID 12947688

IUPACmethyl 3-fluoro-2-oxopentanoate
SMILESCCC(F)C(=O)C(=O)OC
InChIInChI=1S/C6H9FO3/c1-3-4(7)5(8)6(9)10-2/h4H,3H2,1-2H3
InChIKeySGLOZYNLUXGQDG-UHFFFAOYSA-N
MW148.13 g/mol
LogP0.48
Rot. Bonds3

About methyl 3-fluoro-2-oxopentanoate

methyl 3-fluoro-2-oxopentanoate (PubChem CID 12947688) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is methyl 3-fluoro-2-oxopentanoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-oxopentanoate
PubChem CID12947688
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Namemethyl 3-fluoro-2-oxopentanoate
SMILESCCC(F)C(=O)C(=O)OC
InChIInChI=1S/C6H9FO3/c1-3-4(7)5(8)6(9)10-2/h4H,3H2,1-2H3
InChIKeySGLOZYNLUXGQDG-UHFFFAOYSA-N
XLogP0.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.48
H-Bond Donors ≤ 50
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 methyl 3-fluoro-2-oxopentanoate?
The IUPAC name of methyl 3-fluoro-2-oxopentanoate (CID 12947688) is methyl 3-fluoro-2-oxopentanoate.
What is the SMILES notation for methyl 3-fluoro-2-oxopentanoate?
The canonical SMILES for methyl 3-fluoro-2-oxopentanoate is CCC(F)C(=O)C(=O)OC.
What is the InChIKey of methyl 3-fluoro-2-oxopentanoate?
The InChIKey is SGLOZYNLUXGQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c1-3-4(7)5(8)6(9)10-2/h4H,3H2,1-2H3.
What are the key properties of methyl 3-fluoro-2-oxopentanoate?
methyl 3-fluoro-2-oxopentanoate has a molecular weight of 148.13 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-oxopentanoate is sourced from PubChem (CID 12947688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).