ethyl 2-(4-fluorobenzoyl)iminoacetate

C11H10FNO3 — CID 10889516

IUPACethyl 2-(4-fluorobenzoyl)iminoacetate
SMILESCCOC(=O)/C=N/C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c1-2-16-10(14)7-13-11(15)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3/b13-7+
InChIKeyOQTDHINDFIORDD-NTUHNPAUSA-N
MW223.20 g/mol
LogP1.60
Rot. Bonds3

About ethyl 2-(4-fluorobenzoyl)iminoacetate

ethyl 2-(4-fluorobenzoyl)iminoacetate (PubChem CID 10889516) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is ethyl 2-(4-fluorobenzoyl)iminoacetate.

Molecular Properties

Compound Nameethyl 2-(4-fluorobenzoyl)iminoacetate
PubChem CID10889516
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Nameethyl 2-(4-fluorobenzoyl)iminoacetate
SMILESCCOC(=O)/C=N/C(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c1-2-16-10(14)7-13-11(15)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3/b13-7+
InChIKeyOQTDHINDFIORDD-NTUHNPAUSA-N
XLogP1.60
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-[4-(4-fluorophenyl)phenyl]but-2-enoate
CID 22557664
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl (E)-3-dimethoxyphosphoryl-3-(4-fluorophenyl)prop-2-enoate
CID 102409893
ethyl (E)-4-(4-fluoroanilino)but-2-enoate
CID 80546281
ethyl 3-(4-fluorophenyl)-2-hydroxybut-3-enoate
CID 121013432
ethyl 3-(4-fluorophenyl)-3-oxopropanoate;propane
CID 174275035
ethyl 4-[(4-fluorophenyl)methyl]benzoate
CID 71541120
ethyl 3-(4-fluorophenyl)-2,2-dihydroxy-3-oxopropanoate
CID 171482605
ethyl 2-phenyliminoacetate
CID 7095267
ethyl 2-phenylmethoxycarbonyliminoacetate
CID 71407437
ethyl (4E)-4-(4-fluorophenyl)-4-hydroxyiminobutanoate
CID 87950444
ethyl (2Z,4E)-4-(3,4-dimethylphenyl)-5-(4-fluorophenyl)penta-2,4-dienoate
CID 138978200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorobenzoyl)iminoacetate?
The IUPAC name of ethyl 2-(4-fluorobenzoyl)iminoacetate (CID 10889516) is ethyl 2-(4-fluorobenzoyl)iminoacetate.
What is the SMILES notation for ethyl 2-(4-fluorobenzoyl)iminoacetate?
The canonical SMILES for ethyl 2-(4-fluorobenzoyl)iminoacetate is CCOC(=O)/C=N/C(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorobenzoyl)iminoacetate?
The InChIKey is OQTDHINDFIORDD-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-2-16-10(14)7-13-11(15)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3/b13-7+.
What are the key properties of ethyl 2-(4-fluorobenzoyl)iminoacetate?
ethyl 2-(4-fluorobenzoyl)iminoacetate has a molecular weight of 223.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorobenzoyl)iminoacetate is sourced from PubChem (CID 10889516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).