(E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine

C8H7BrFNO — CID 11977253

IUPAC(E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFNO/c1-12-11-5-6-4-7(9)2-3-8(6)10/h2-5H,1H3/b11-5+
InChIKeyLCABLQBLYCGYBH-VZUCSPMQSA-N
MW232.05 g/mol
LogP2.57
Rot. Bonds2

About (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine

(E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine (PubChem CID 11977253) has the molecular formula C8H7BrFNO and a molecular weight of 232.05 g/mol. Its IUPAC name is (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine
PubChem CID11977253
Molecular FormulaC8H7BrFNO
Molecular Weight232.05 g/mol
Exact Mass230.97
IUPAC Name(E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine
SMILESCO/N=C/c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFNO/c1-12-11-5-6-4-7(9)2-3-8(6)10/h2-5H,1H3/b11-5+
InChIKeyLCABLQBLYCGYBH-VZUCSPMQSA-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 (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine (CID 11977253) is (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine is CO/N=C/c1cc(Br)ccc1F.
What is the InChIKey of (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine?
The InChIKey is LCABLQBLYCGYBH-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7BrFNO/c1-12-11-5-6-4-7(9)2-3-8(6)10/h2-5H,1H3/b11-5+.
What are the key properties of (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine?
(E)-1-(5-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 (E)-1-(5-bromo-2-fluorophenyl)-N-methoxymethanimine is sourced from PubChem (CID 11977253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).