ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate

C11H11F2NO3 — CID 142461561

IUPACethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate
SMILESCCOC(=O)C(Cc1ccc(F)cc1F)=NO
InChIInChI=1S/C11H11F2NO3/c1-2-17-11(15)10(14-16)5-7-3-4-8(12)6-9(7)13/h3-4,6,16H,2,5H2,1H3
InChIKeyLHJZDXYENHLBOG-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.90
Rot. Bonds4

About ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate

ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate (PubChem CID 142461561) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate.

Molecular Properties

Compound Nameethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate
PubChem CID142461561
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Nameethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate
SMILESCCOC(=O)C(Cc1ccc(F)cc1F)=NO
InChIInChI=1S/C11H11F2NO3/c1-2-17-11(15)10(14-16)5-7-3-4-8(12)6-9(7)13/h3-4,6,16H,2,5H2,1H3
InChIKeyLHJZDXYENHLBOG-UHFFFAOYSA-N
XLogP1.90
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate?
The IUPAC name of ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate (CID 142461561) is ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate.
What is the SMILES notation for ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate?
The canonical SMILES for ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate is CCOC(=O)C(Cc1ccc(F)cc1F)=NO.
What is the InChIKey of ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate?
The InChIKey is LHJZDXYENHLBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-2-17-11(15)10(14-16)5-7-3-4-8(12)6-9(7)13/h3-4,6,16H,2,5H2,1H3.
What are the key properties of ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate?
ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate has a molecular weight of 243.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,4-difluorophenyl)-2-hydroxyiminopropanoate is sourced from PubChem (CID 142461561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).