1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine

C8H7BrFNO — CID 142751279

IUPAC1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine
SMILESCON=Cc1cccc(Br)c1F
InChIInChI=1S/C8H7BrFNO/c1-12-11-5-6-3-2-4-7(9)8(6)10/h2-5H,1H3
InChIKeyFGWZGBATZCELOH-UHFFFAOYSA-N
MW232.05 g/mol
LogP2.57
Rot. Bonds2

About 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine

1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine (PubChem CID 142751279) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine
PubChem CID142751279
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine
SMILESCON=Cc1cccc(Br)c1F
InChIInChI=1S/C8H7BrFNO/c1-12-11-5-6-3-2-4-7(9)8(6)10/h2-5H,1H3
InChIKeyFGWZGBATZCELOH-UHFFFAOYSA-N
XLogP2.57
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.05
LogP ≤ 52.57
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-(3-bromo-2-fluorophenyl)-N-methoxymethanimine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine (CID 142751279) is 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine is CON=Cc1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine?
The InChIKey is FGWZGBATZCELOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-12-11-5-6-3-2-4-7(9)8(6)10/h2-5H,1H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine?
1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine has a molecular weight of 232.05 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 142751279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).