ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate

C11H11FN2O3 — CID 6883426

IUPACethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3/c1-2-17-11(16)10(15)14-13-7-8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,14,15)/b13-7+
InChIKeyAOQHVPMUZBGSJT-NTUHNPAUSA-N
MW238.22 g/mol
LogP0.84
Rot. Bonds3

About ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate

ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate (PubChem CID 6883426) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
PubChem CID6883426
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Nameethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N/N=C/c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3/c1-2-17-11(16)10(15)14-13-7-8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,14,15)/b13-7+
InChIKeyAOQHVPMUZBGSJT-NTUHNPAUSA-N
XLogP0.84
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate (CID 6883426) is ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate is CCOC(=O)C(=O)N/N=C/c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate?
The InChIKey is AOQHVPMUZBGSJT-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-2-17-11(16)10(15)14-13-7-8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,14,15)/b13-7+.
What are the key properties of ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate?
ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate has a molecular weight of 238.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2E)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-2-oxoacetate is sourced from PubChem (CID 6883426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).