ethyl 2-(4-fluoroanilino)-2-oxoacetate

C10H10FNO3 — CID 2774365

IUPACethyl 2-(4-fluoroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyOUBZLXSQKQMFAH-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.33
Rot. Bonds2

About ethyl 2-(4-fluoroanilino)-2-oxoacetate

ethyl 2-(4-fluoroanilino)-2-oxoacetate (PubChem CID 2774365) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is ethyl 2-(4-fluoroanilino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoroanilino)-2-oxoacetate
PubChem CID2774365
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Nameethyl 2-(4-fluoroanilino)-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C10H10FNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13)
InChIKeyOUBZLXSQKQMFAH-UHFFFAOYSA-N
XLogP1.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 2-(4-fluoroanilino)-2-oxoacetate?
The IUPAC name of ethyl 2-(4-fluoroanilino)-2-oxoacetate (CID 2774365) is ethyl 2-(4-fluoroanilino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(4-fluoroanilino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(4-fluoroanilino)-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluoroanilino)-2-oxoacetate?
The InChIKey is OUBZLXSQKQMFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 2-(4-fluoroanilino)-2-oxoacetate?
ethyl 2-(4-fluoroanilino)-2-oxoacetate has a molecular weight of 211.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoroanilino)-2-oxoacetate is sourced from PubChem (CID 2774365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).