ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate

C10H9ClFNO3 — CID 88612338

IUPACethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(=N\O)c1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-2-16-10(14)9(13-15)8-6(11)4-3-5-7(8)12/h3-5,15H,2H2,1H3/b13-9-
InChIKeyLRHOZPGTKVELQS-LCYFTJDESA-N
MW245.64 g/mol
LogP2.22
Rot. Bonds3

About ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate

ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate (PubChem CID 88612338) has the molecular formula C10H9ClFNO3 and a molecular weight of 245.64 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate
PubChem CID88612338
Molecular FormulaC10H9ClFNO3
Molecular Weight245.64 g/mol
Exact Mass245.03
IUPAC Nameethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate
SMILESCCOC(=O)/C(=N\O)c1c(F)cccc1Cl
InChIInChI=1S/C10H9ClFNO3/c1-2-16-10(14)9(13-15)8-6(11)4-3-5-7(8)12/h3-5,15H,2H2,1H3/b13-9-
InChIKeyLRHOZPGTKVELQS-LCYFTJDESA-N
XLogP2.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.64
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate?
The IUPAC name of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate (CID 88612338) is ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate?
The canonical SMILES for ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate is CCOC(=O)/C(=N\O)c1c(F)cccc1Cl.
What is the InChIKey of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate?
The InChIKey is LRHOZPGTKVELQS-LCYFTJDESA-N. The full InChI is InChI=1S/C10H9ClFNO3/c1-2-16-10(14)9(13-15)8-6(11)4-3-5-7(8)12/h3-5,15H,2H2,1H3/b13-9-.
What are the key properties of ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate?
ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate has a molecular weight of 245.64 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-chloro-6-fluorophenyl)-2-hydroxyiminoacetate is sourced from PubChem (CID 88612338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).