1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine

C15H13F2NO — CID 72558107

IUPAC1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(-c2cc(F)ccc2C)cc1F
InChIInChI=1S/C15H13F2NO/c1-10-3-6-13(16)8-14(10)11-4-5-12(9-18-19-2)15(17)7-11/h3-9H,1-2H3
InChIKeyUMHLEOMFNSFNDD-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.92
Rot. Bonds3

About 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine

1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine (PubChem CID 72558107) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine.

Molecular Properties

Compound Name1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine
PubChem CID72558107
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine
SMILESCON=Cc1ccc(-c2cc(F)ccc2C)cc1F
InChIInChI=1S/C15H13F2NO/c1-10-3-6-13(16)8-14(10)11-4-5-12(9-18-19-2)15(17)7-11/h3-9H,1-2H3
InChIKeyUMHLEOMFNSFNDD-UHFFFAOYSA-N
XLogP3.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine?
The IUPAC name of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine (CID 72558107) is 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine.
What is the SMILES notation for 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine?
The canonical SMILES for 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine is CON=Cc1ccc(-c2cc(F)ccc2C)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine?
The InChIKey is UMHLEOMFNSFNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-10-3-6-13(16)8-14(10)11-4-5-12(9-18-19-2)15(17)7-11/h3-9H,1-2H3.
What are the key properties of 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine?
1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine has a molecular weight of 261.27 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-N-methoxymethanimine is sourced from PubChem (CID 72558107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).