ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate

C17H17FN2O2 — CID 11335581

IUPACethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate
SMILESCCOC(=O)/C(Cc1ccccc1)=N/Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-17(21)16(12-13-6-4-3-5-7-13)20-19-15-10-8-14(18)9-11-15/h3-11,19H,2,12H2,1H3/b20-16+
InChIKeyXERBFRYJPPNBQS-CAPFRKAQSA-N
MW300.33 g/mol
LogP3.40
Rot. Bonds6

About ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate

ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate (PubChem CID 11335581) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate
PubChem CID11335581
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Nameethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate
SMILESCCOC(=O)/C(Cc1ccccc1)=N/Nc1ccc(F)cc1
InChIInChI=1S/C17H17FN2O2/c1-2-22-17(21)16(12-13-6-4-3-5-7-13)20-19-15-10-8-14(18)9-11-15/h3-11,19H,2,12H2,1H3/b20-16+
InChIKeyXERBFRYJPPNBQS-CAPFRKAQSA-N
XLogP3.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate?
The IUPAC name of ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate (CID 11335581) is ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate?
The canonical SMILES for ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate is CCOC(=O)/C(Cc1ccccc1)=N/Nc1ccc(F)cc1.
What is the InChIKey of ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate?
The InChIKey is XERBFRYJPPNBQS-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-2-22-17(21)16(12-13-6-4-3-5-7-13)20-19-15-10-8-14(18)9-11-15/h3-11,19H,2,12H2,1H3/b20-16+.
What are the key properties of ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate?
ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate has a molecular weight of 300.33 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[(4-fluorophenyl)hydrazinylidene]-3-phenylpropanoate is sourced from PubChem (CID 11335581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).