ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate

C17H15FO3 — CID 10684606

IUPACethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
SMILESCCOC(=O)C(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15FO3/c1-2-21-16(20)15(19)17(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyKBBSAVZAPASQEA-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.03
Rot. Bonds5

About ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate

ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate (PubChem CID 10684606) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate.

Molecular Properties

Compound Nameethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
PubChem CID10684606
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Nameethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate
SMILESCCOC(=O)C(=O)C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H15FO3/c1-2-21-16(20)15(19)17(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3
InChIKeyKBBSAVZAPASQEA-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 7601
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CID 108879
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Flurbiprofen Methyl Ester
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Fluenetil
CID 20288
Ethyl diphenylacetate
CID 226748
2-(4-Methylphenyl)-2-oxoethyl phenylacetate
CID 789326
Ethyl 4-phenylbenzoylformate
CID 80389
Methyl 2-oxo-3-phenylpropanoate
CID 562359
2-Oxo-2-phenylethyl 2-phenylacetate
CID 872782

Frequently Asked Questions

What is the IUPAC name of ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
The IUPAC name of ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate (CID 10684606) is ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate.
What is the SMILES notation for ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
The canonical SMILES for ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate is CCOC(=O)C(=O)C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
The InChIKey is KBBSAVZAPASQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-2-21-16(20)15(19)17(18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate?
ethyl 3-fluoro-2-oxo-3,3-diphenylpropanoate has a molecular weight of 286.30 g/mol, XLogP of 3.03, 5 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-3,3-diphenylpropanoate is sourced from PubChem (CID 10684606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).