2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde

C9H8FNO2 — CID 89290103

IUPAC2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde
SMILESO=CCO/N=C/c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2/c10-9-3-1-8(2-4-9)7-11-13-6-5-12/h1-5,7H,6H2/b11-7+
InChIKeyOYGJGSILRXTGPY-YRNVUSSQSA-N
MW181.17 g/mol
LogP1.38
Rot. Bonds4

About 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde

2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde (PubChem CID 89290103) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde.

Molecular Properties

Compound Name2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde
PubChem CID89290103
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde
SMILESO=CCO/N=C/c1ccc(F)cc1
InChIInChI=1S/C9H8FNO2/c10-9-3-1-8(2-4-9)7-11-13-6-5-12/h1-5,7H,6H2/b11-7+
InChIKeyOYGJGSILRXTGPY-YRNVUSSQSA-N
XLogP1.38
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde?
The IUPAC name of 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde (CID 89290103) is 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde.
What is the SMILES notation for 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde?
The canonical SMILES for 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde is O=CCO/N=C/c1ccc(F)cc1.
What is the InChIKey of 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde?
The InChIKey is OYGJGSILRXTGPY-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-9-3-1-8(2-4-9)7-11-13-6-5-12/h1-5,7H,6H2/b11-7+.
What are the key properties of 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde?
2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde has a molecular weight of 181.17 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetaldehyde is sourced from PubChem (CID 89290103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).