1-(5-bromo-2,4-difluorophenyl)ethanimine

C8H6BrF2N — CID 87490060

IUPAC1-(5-bromo-2,4-difluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1cc(Br)c(F)cc1F
InChIInChI=1S/C8H6BrF2N/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-3,12H,1H3/b12-4+
InChIKeyMITPBFFYYNUZTQ-UUILKARUSA-N
MW234.04 g/mol
LogP3.12
Rot. Bonds1

About 1-(5-bromo-2,4-difluorophenyl)ethanimine

1-(5-bromo-2,4-difluorophenyl)ethanimine (PubChem CID 87490060) has the molecular formula C8H6BrF2N and a molecular weight of 234.04 g/mol. Its IUPAC name is 1-(5-bromo-2,4-difluorophenyl)ethanimine.

Molecular Properties

Compound Name1-(5-bromo-2,4-difluorophenyl)ethanimine
PubChem CID87490060
Molecular FormulaC8H6BrF2N
Molecular Weight234.04 g/mol
Exact Mass232.97
IUPAC Name1-(5-bromo-2,4-difluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1cc(Br)c(F)cc1F
InChIInChI=1S/C8H6BrF2N/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-3,12H,1H3/b12-4+
InChIKeyMITPBFFYYNUZTQ-UUILKARUSA-N
XLogP3.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-difluorophenyl)ethanimine?
The IUPAC name of 1-(5-bromo-2,4-difluorophenyl)ethanimine (CID 87490060) is 1-(5-bromo-2,4-difluorophenyl)ethanimine.
What is the SMILES notation for 1-(5-bromo-2,4-difluorophenyl)ethanimine?
The canonical SMILES for 1-(5-bromo-2,4-difluorophenyl)ethanimine is [H]/N=C(\C)c1cc(Br)c(F)cc1F.
What is the InChIKey of 1-(5-bromo-2,4-difluorophenyl)ethanimine?
The InChIKey is MITPBFFYYNUZTQ-UUILKARUSA-N. The full InChI is InChI=1S/C8H6BrF2N/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-3,12H,1H3/b12-4+.
What are the key properties of 1-(5-bromo-2,4-difluorophenyl)ethanimine?
1-(5-bromo-2,4-difluorophenyl)ethanimine has a molecular weight of 234.04 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-difluorophenyl)ethanimine is sourced from PubChem (CID 87490060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).