N-[3-(4-fluorophenyl)phenoxy]methanimine

C13H10FNO — CID 58996325

IUPACN-[3-(4-fluorophenyl)phenoxy]methanimine
SMILESC=NOc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO/c1-15-16-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,1H2
InChIKeyBWZUUTRNTFODHE-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.49
Rot. Bonds3

About N-[3-(4-fluorophenyl)phenoxy]methanimine

N-[3-(4-fluorophenyl)phenoxy]methanimine (PubChem CID 58996325) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)phenoxy]methanimine.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)phenoxy]methanimine
PubChem CID58996325
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC NameN-[3-(4-fluorophenyl)phenoxy]methanimine
SMILESC=NOc1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H10FNO/c1-15-16-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,1H2
InChIKeyBWZUUTRNTFODHE-UHFFFAOYSA-N
XLogP3.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.49
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 N-[3-(4-fluorophenyl)phenoxy]methanimine 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 N-[3-(4-fluorophenyl)phenoxy]methanimine?
The IUPAC name of N-[3-(4-fluorophenyl)phenoxy]methanimine (CID 58996325) is N-[3-(4-fluorophenyl)phenoxy]methanimine.
What is the SMILES notation for N-[3-(4-fluorophenyl)phenoxy]methanimine?
The canonical SMILES for N-[3-(4-fluorophenyl)phenoxy]methanimine is C=NOc1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)phenoxy]methanimine?
The InChIKey is BWZUUTRNTFODHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-15-16-13-4-2-3-11(9-13)10-5-7-12(14)8-6-10/h2-9H,1H2.
What are the key properties of N-[3-(4-fluorophenyl)phenoxy]methanimine?
N-[3-(4-fluorophenyl)phenoxy]methanimine has a molecular weight of 215.23 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)phenoxy]methanimine is sourced from PubChem (CID 58996325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).