ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate

C10H9F2NO3 — CID 72579109

IUPACethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
SMILESCCOC(=O)C(=NO)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3/c1-2-16-10(14)9(13-15)7-4-3-6(11)5-8(7)12/h3-5,15H,2H2,1H3
InChIKeyHTGHOTUMLJWPEG-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.71
Rot. Bonds3

About ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate

ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate (PubChem CID 72579109) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
PubChem CID72579109
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Nameethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate
SMILESCCOC(=O)C(=NO)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3/c1-2-16-10(14)9(13-15)7-4-3-6(11)5-8(7)12/h3-5,15H,2H2,1H3
InChIKeyHTGHOTUMLJWPEG-UHFFFAOYSA-N
XLogP1.71
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.71
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'}

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Related Compounds

ethyl 2-(2,4-difluorophenyl)-2-oxoacetate
CID 24722254
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
ethyl 4-(2,4-difluorophenyl)-2,4-dioxobutanoate
CID 603034
ethyl 1-(2,4-difluorobenzoyl)cyclopropane-1-carboxylate
CID 14994815
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
1-O-ethyl 3-O-methyl 2-[2-(2,4-difluorophenyl)prop-2-enyl]propanedioate
CID 121307550
icosyl 2,4-difluorobenzoate
CID 91723271
ethyl 2-chloro-2-(2,4-difluorophenyl)acetate
CID 62224736
ethyl 2-(4-bromo-2-fluorophenyl)-2-oxoacetate
CID 24722240
ethyl (Z)-3-(2-chloro-4-fluorophenyl)-2-methylbut-2-enoate
CID 104503469
2-methoxyethyl 2,4-difluorobenzoate
CID 78830751
diethyl 2-[(2,5-difluoroanilino)methylidene]propanedioate
CID 2800566

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate?
The IUPAC name of ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate (CID 72579109) is ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate?
The canonical SMILES for ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate is CCOC(=O)C(=NO)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate?
The InChIKey is HTGHOTUMLJWPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-2-16-10(14)9(13-15)7-4-3-6(11)5-8(7)12/h3-5,15H,2H2,1H3.
What are the key properties of ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate?
ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate has a molecular weight of 229.18 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluorophenyl)-2-hydroxyiminoacetate is sourced from PubChem (CID 72579109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).