1-(5-bromo-2-fluorophenyl)ethanimine

C8H7BrFN — CID 88898025

IUPAC1-(5-bromo-2-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4,11H,1H3/b11-5+
InChIKeyJEMSASLKMDYHPW-VZUCSPMQSA-N
MW216.05 g/mol
LogP2.98
Rot. Bonds1

About 1-(5-bromo-2-fluorophenyl)ethanimine

1-(5-bromo-2-fluorophenyl)ethanimine (PubChem CID 88898025) has the molecular formula C8H7BrFN and a molecular weight of 216.05 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)ethanimine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)ethanimine
PubChem CID88898025
Molecular FormulaC8H7BrFN
Molecular Weight216.05 g/mol
Exact Mass214.97
IUPAC Name1-(5-bromo-2-fluorophenyl)ethanimine
SMILES[H]/N=C(\C)c1cc(Br)ccc1F
InChIInChI=1S/C8H7BrFN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4,11H,1H3/b11-5+
InChIKeyJEMSASLKMDYHPW-VZUCSPMQSA-N
XLogP2.98
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.05
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)ethanimine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)ethanimine (CID 88898025) is 1-(5-bromo-2-fluorophenyl)ethanimine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)ethanimine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)ethanimine is [H]/N=C(\C)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)ethanimine?
The InChIKey is JEMSASLKMDYHPW-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H7BrFN/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4,11H,1H3/b11-5+.
What are the key properties of 1-(5-bromo-2-fluorophenyl)ethanimine?
1-(5-bromo-2-fluorophenyl)ethanimine has a molecular weight of 216.05 g/mol, XLogP of 2.98, 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-fluorophenyl)ethanimine is sourced from PubChem (CID 88898025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).