1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide

C14H12FNO — CID 88775122

IUPAC1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide
SMILESCc1ccc([N+]([O-])=Cc2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO/c1-11-5-7-14(8-6-11)16(17)10-12-3-2-4-13(15)9-12/h2-10H,1H3
InChIKeyWWZMZHLVJSXYMO-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.40
Rot. Bonds2

About 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide

1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide (PubChem CID 88775122) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide
PubChem CID88775122
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide
SMILESCc1ccc([N+]([O-])=Cc2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO/c1-11-5-7-14(8-6-11)16(17)10-12-3-2-4-13(15)9-12/h2-10H,1H3
InChIKeyWWZMZHLVJSXYMO-UHFFFAOYSA-N
XLogP3.40
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide?
The IUPAC name of 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide (CID 88775122) is 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide?
The canonical SMILES for 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide is Cc1ccc([N+]([O-])=Cc2cccc(F)c2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide?
The InChIKey is WWZMZHLVJSXYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-11-5-7-14(8-6-11)16(17)10-12-3-2-4-13(15)9-12/h2-10H,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide?
1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide has a molecular weight of 229.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(4-methylphenyl)methanimine oxide is sourced from PubChem (CID 88775122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).