ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate

C11H11FN2O3 — CID 46174207

IUPACethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3/c1-2-17-10(15)7-13-14-11(16)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,14,16)/b13-7+
InChIKeyWPZZLTQFHGYDDM-NTUHNPAUSA-N
MW238.22 g/mol
LogP1.10
Rot. Bonds4

About ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate

ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate (PubChem CID 46174207) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate
PubChem CID46174207
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Nameethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C=N/NC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H11FN2O3/c1-2-17-10(15)7-13-14-11(16)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,14,16)/b13-7+
InChIKeyWPZZLTQFHGYDDM-NTUHNPAUSA-N
XLogP1.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
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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Related Compounds

Benzoic acid, (1-carboxyethylidene)hydrazide
CID 5399093
2-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 6902270
N'-[(1E)-butylidene]-4-fluorobenzohydrazide
CID 9631287
3-fluoro-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]benzohydrazide
CID 9656046
(2Z)-2-[(Phenylformamido)imino]propanoic acid
CID 5360813
N-[(E)-2-ethylbutylideneamino]-2-fluorobenzamide
CID 9626425
N'-(4-fluorobenzylidene)benzohydrazide
CID 6895184
N'-((1E)-2,2-dimethylpropylidene)benzohydrazide
CID 11564693
Benzoic acid, 2-(2-methylpropylidene)hydrazide
CID 112687
4-fluoro-N'-[(1Z)-(4-fluorophenyl)methylene]benzohydrazide
CID 5394348
N'-(2-fluorobenzylidene)benzohydrazide
CID 5332756
N'-(2-Methylpropylidene)benzohydrazide
CID 9563269

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate (CID 46174207) is ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate is CCOC(=O)/C=N/NC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate?
The InChIKey is WPZZLTQFHGYDDM-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11FN2O3/c1-2-17-10(15)7-13-14-11(16)8-3-5-9(12)6-4-8/h3-7H,2H2,1H3,(H,14,16)/b13-7+.
What are the key properties of ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate?
ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate has a molecular weight of 238.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(4-fluorobenzoyl)hydrazinylidene]acetate is sourced from PubChem (CID 46174207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).