ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine

C13H17FN2O4 — CID 161038157

IUPACethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine
SMILESCCOC(=O)C(=O)CC(C)=O.NNc1ccc(F)cc1
InChIInChI=1S/C7H10O4.C6H7FN2/c1-3-11-7(10)6(9)4-5(2)8;7-5-1-3-6(9-8)4-2-5/h3-4H2,1-2H3;1-4,9H,8H2
InChIKeyUANGUURVWYVPAQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.21
Rot. Bonds5

About ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine

ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine (PubChem CID 161038157) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine.

Molecular Properties

Compound Nameethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine
PubChem CID161038157
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Nameethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine
SMILESCCOC(=O)C(=O)CC(C)=O.NNc1ccc(F)cc1
InChIInChI=1S/C7H10O4.C6H7FN2/c1-3-11-7(10)6(9)4-5(2)8;7-5-1-3-6(9-8)4-2-5/h3-4H2,1-2H3;1-4,9H,8H2
InChIKeyUANGUURVWYVPAQ-UHFFFAOYSA-N
XLogP1.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine?
The IUPAC name of ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine (CID 161038157) is ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine.
What is the SMILES notation for ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine?
The canonical SMILES for ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine is CCOC(=O)C(=O)CC(C)=O.NNc1ccc(F)cc1.
What is the InChIKey of ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine?
The InChIKey is UANGUURVWYVPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.C6H7FN2/c1-3-11-7(10)6(9)4-5(2)8;7-5-1-3-6(9-8)4-2-5/h3-4H2,1-2H3;1-4,9H,8H2.
What are the key properties of ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine?
ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine has a molecular weight of 284.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxopentanoate;(4-fluorophenyl)hydrazine is sourced from PubChem (CID 161038157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).