(E)-1-(4-fluorophenyl)-N-methoxyethanimine

C9H10FNO — CID 59981154

IUPAC(E)-1-(4-fluorophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6H,1-2H3/b11-7+
InChIKeySYOZHOFHKMIDHY-YRNVUSSQSA-N
MW167.18 g/mol
LogP2.20
Rot. Bonds2

About (E)-1-(4-fluorophenyl)-N-methoxyethanimine

(E)-1-(4-fluorophenyl)-N-methoxyethanimine (PubChem CID 59981154) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-methoxyethanimine
PubChem CID59981154
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name(E)-1-(4-fluorophenyl)-N-methoxyethanimine
SMILESCO/N=C(\C)c1ccc(F)cc1
InChIInChI=1S/C9H10FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6H,1-2H3/b11-7+
InChIKeySYOZHOFHKMIDHY-YRNVUSSQSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.20
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)-1-(4-fluorophenyl)-N-methoxyethanimine 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)-1-(4-fluorophenyl)-N-methoxyethanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-methoxyethanimine (CID 59981154) is (E)-1-(4-fluorophenyl)-N-methoxyethanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-methoxyethanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-methoxyethanimine is CO/N=C(\C)c1ccc(F)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-methoxyethanimine?
The InChIKey is SYOZHOFHKMIDHY-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10FNO/c1-7(11-12-2)8-3-5-9(10)6-4-8/h3-6H,1-2H3/b11-7+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-methoxyethanimine?
(E)-1-(4-fluorophenyl)-N-methoxyethanimine has a molecular weight of 167.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-methoxyethanimine is sourced from PubChem (CID 59981154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).