ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate

C11H12FN3O3 — CID 174974451

IUPACethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(N)=NNC(=O)c1ccccc1F
InChIInChI=1S/C11H12FN3O3/c1-2-18-11(17)9(13)14-15-10(16)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyOWZYOMNEEOQGPR-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.39
Rot. Bonds3

About ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate

ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate (PubChem CID 174974451) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
PubChem CID174974451
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Nameethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate
SMILESCCOC(=O)C(N)=NNC(=O)c1ccccc1F
InChIInChI=1S/C11H12FN3O3/c1-2-18-11(17)9(13)14-15-10(16)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14)(H,15,16)
InChIKeyOWZYOMNEEOQGPR-UHFFFAOYSA-N
XLogP0.39
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-(heptan-4-ylideneamino)benzamide
CID 3470873
ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
ethyl 4-[3-[(2-fluorobenzoyl)hydrazinylidene]butanoylamino]benzoate
CID 3498845
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
ethyl 3-fluoro-2-(2-fluorophenyl)prop-2-enoate
CID 144859412
ethyl 2-amino-2-[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]hydrazinylidene]acetate
CID 68852573
(Z)-3-ethoxycarbonyl-4-(2-fluorophenyl)-4-phenylbut-3-enoic acid
CID 175700684
ethyl (E)-4-(2-fluorophenyl)-4-hydroxy-2-oxobut-3-enoate
CID 67153299
diethyl 2-[(2-hydroxybenzoyl)hydrazinylidene]-3-methylbutanedioate
CID 3619400
ethane;2-fluoro-N-methylbenzamide
CID 178102327
2-fluoro-N-methylbenzamide;hydrate
CID 141303255

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate?
The IUPAC name of ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate (CID 174974451) is ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate is CCOC(=O)C(N)=NNC(=O)c1ccccc1F.
What is the InChIKey of ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate?
The InChIKey is OWZYOMNEEOQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-2-18-11(17)9(13)14-15-10(16)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate?
ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate has a molecular weight of 253.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[(2-fluorobenzoyl)hydrazinylidene]acetate is sourced from PubChem (CID 174974451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).