ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate

C11H11ClFNO3 — CID 54073820

IUPACethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFNO3/c1-3-17-11(15)10(14-16-2)8-5-4-7(13)6-9(8)12/h4-6H,3H2,1-2H3
InChIKeyLWJASVIQZAFEDS-UHFFFAOYSA-N
MW259.66 g/mol
LogP2.39
Rot. Bonds4

About ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate

ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate (PubChem CID 54073820) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate
PubChem CID54073820
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Nameethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate
SMILESCCOC(=O)C(=NOC)c1ccc(F)cc1Cl
InChIInChI=1S/C11H11ClFNO3/c1-3-17-11(15)10(14-16-2)8-5-4-7(13)6-9(8)12/h4-6H,3H2,1-2H3
InChIKeyLWJASVIQZAFEDS-UHFFFAOYSA-N
XLogP2.39
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate?
The IUPAC name of ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate (CID 54073820) is ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate?
The canonical SMILES for ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate is CCOC(=O)C(=NOC)c1ccc(F)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate?
The InChIKey is LWJASVIQZAFEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c1-3-17-11(15)10(14-16-2)8-5-4-7(13)6-9(8)12/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate?
ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate has a molecular weight of 259.66 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-fluorophenyl)-2-methoxyiminoacetate is sourced from PubChem (CID 54073820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).