ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate

C15H13FO3 — CID 135078279

IUPACethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate
SMILESCCOC(=O)C(F)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H13FO3/c1-2-19-15(18)13(16)14(17)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
InChIKeyAWTVRLLHOHZSBJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.92
Rot. Bonds4

About ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate

ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate (PubChem CID 135078279) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate
PubChem CID135078279
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Nameethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate
SMILESCCOC(=O)C(F)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C15H13FO3/c1-2-19-15(18)13(16)14(17)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3
InChIKeyAWTVRLLHOHZSBJ-UHFFFAOYSA-N
XLogP2.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate?
The IUPAC name of ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate (CID 135078279) is ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate.
What is the SMILES notation for ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate?
The canonical SMILES for ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate is CCOC(=O)C(F)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate?
The InChIKey is AWTVRLLHOHZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-2-19-15(18)13(16)14(17)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate?
ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate has a molecular weight of 260.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-naphthalen-2-yl-3-oxopropanoate is sourced from PubChem (CID 135078279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).