ethyl 3-fluoro-2-oxo-3-phenylpropanoate

C11H11FO3 — CID 11095876

IUPACethyl 3-fluoro-2-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(=O)C(F)c1ccccc1
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyNPZUFESDIBOGDZ-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.83
Rot. Bonds4

About ethyl 3-fluoro-2-oxo-3-phenylpropanoate

ethyl 3-fluoro-2-oxo-3-phenylpropanoate (PubChem CID 11095876) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is ethyl 3-fluoro-2-oxo-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-fluoro-2-oxo-3-phenylpropanoate
PubChem CID11095876
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Nameethyl 3-fluoro-2-oxo-3-phenylpropanoate
SMILESCCOC(=O)C(=O)C(F)c1ccccc1
InChIInChI=1S/C11H11FO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyNPZUFESDIBOGDZ-UHFFFAOYSA-N
XLogP1.83
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.83
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 ethyl 3-fluoro-2-oxo-3-phenylpropanoate?
The IUPAC name of ethyl 3-fluoro-2-oxo-3-phenylpropanoate (CID 11095876) is ethyl 3-fluoro-2-oxo-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-fluoro-2-oxo-3-phenylpropanoate?
The canonical SMILES for ethyl 3-fluoro-2-oxo-3-phenylpropanoate is CCOC(=O)C(=O)C(F)c1ccccc1.
What is the InChIKey of ethyl 3-fluoro-2-oxo-3-phenylpropanoate?
The InChIKey is NPZUFESDIBOGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c1-2-15-11(14)10(13)9(12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 3-fluoro-2-oxo-3-phenylpropanoate?
ethyl 3-fluoro-2-oxo-3-phenylpropanoate has a molecular weight of 210.20 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-fluoro-2-oxo-3-phenylpropanoate is sourced from PubChem (CID 11095876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).