(E)-N-[(4-fluorophenyl)methoxy]ethanimine

C9H10FNO — CID 14128517

IUPAC(E)-N-[(4-fluorophenyl)methoxy]ethanimine
SMILESC/C=N/OCc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-2-11-12-7-8-3-5-9(10)6-4-8/h2-6H,7H2,1H3/b11-2+
InChIKeyXXGMCYXHMOSLSU-BIIKFXOESA-N
MW167.18 g/mol
LogP2.35
Rot. Bonds3

About (E)-N-[(4-fluorophenyl)methoxy]ethanimine

(E)-N-[(4-fluorophenyl)methoxy]ethanimine (PubChem CID 14128517) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (E)-N-[(4-fluorophenyl)methoxy]ethanimine.

Molecular Properties

Compound Name(E)-N-[(4-fluorophenyl)methoxy]ethanimine
PubChem CID14128517
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(E)-N-[(4-fluorophenyl)methoxy]ethanimine
SMILESC/C=N/OCc1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-2-11-12-7-8-3-5-9(10)6-4-8/h2-6H,7H2,1H3/b11-2+
InChIKeyXXGMCYXHMOSLSU-BIIKFXOESA-N
XLogP2.35
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(4-fluorophenyl)methoxy]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-fluorophenyl)methoxy]ethanimine?
The IUPAC name of (E)-N-[(4-fluorophenyl)methoxy]ethanimine (CID 14128517) is (E)-N-[(4-fluorophenyl)methoxy]ethanimine.
What is the SMILES notation for (E)-N-[(4-fluorophenyl)methoxy]ethanimine?
The canonical SMILES for (E)-N-[(4-fluorophenyl)methoxy]ethanimine is C/C=N/OCc1ccc(F)cc1.
What is the InChIKey of (E)-N-[(4-fluorophenyl)methoxy]ethanimine?
The InChIKey is XXGMCYXHMOSLSU-BIIKFXOESA-N. The full InChI is InChI=1S/C9H10FNO/c1-2-11-12-7-8-3-5-9(10)6-4-8/h2-6H,7H2,1H3/b11-2+.
What are the key properties of (E)-N-[(4-fluorophenyl)methoxy]ethanimine?
(E)-N-[(4-fluorophenyl)methoxy]ethanimine has a molecular weight of 167.18 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-fluorophenyl)methoxy]ethanimine is sourced from PubChem (CID 14128517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).