N-(4-bromo-3,5-difluorophenyl)ethanimine

C8H6BrF2N — CID 129132046

IUPACN-(4-bromo-3,5-difluorophenyl)ethanimine
SMILESC/C=N/c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C8H6BrF2N/c1-2-12-5-3-6(10)8(9)7(11)4-5/h2-4H,1H3/b12-2+
InChIKeyAXNMHLHVWZZQBK-SWGQDTFXSA-N
MW234.04 g/mol
LogP3.45
Rot. Bonds1

About N-(4-bromo-3,5-difluorophenyl)ethanimine

N-(4-bromo-3,5-difluorophenyl)ethanimine (PubChem CID 129132046) has the molecular formula C8H6BrF2N and a molecular weight of 234.04 g/mol. Its IUPAC name is N-(4-bromo-3,5-difluorophenyl)ethanimine.

Molecular Properties

Compound NameN-(4-bromo-3,5-difluorophenyl)ethanimine
PubChem CID129132046
Molecular FormulaC8H6BrF2N
Molecular Weight234.04 g/mol
Exact Mass232.97
IUPAC NameN-(4-bromo-3,5-difluorophenyl)ethanimine
SMILESC/C=N/c1cc(F)c(Br)c(F)c1
InChIInChI=1S/C8H6BrF2N/c1-2-12-5-3-6(10)8(9)7(11)4-5/h2-4H,1H3/b12-2+
InChIKeyAXNMHLHVWZZQBK-SWGQDTFXSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-difluorophenyl)ethanimine?
The IUPAC name of N-(4-bromo-3,5-difluorophenyl)ethanimine (CID 129132046) is N-(4-bromo-3,5-difluorophenyl)ethanimine.
What is the SMILES notation for N-(4-bromo-3,5-difluorophenyl)ethanimine?
The canonical SMILES for N-(4-bromo-3,5-difluorophenyl)ethanimine is C/C=N/c1cc(F)c(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3,5-difluorophenyl)ethanimine?
The InChIKey is AXNMHLHVWZZQBK-SWGQDTFXSA-N. The full InChI is InChI=1S/C8H6BrF2N/c1-2-12-5-3-6(10)8(9)7(11)4-5/h2-4H,1H3/b12-2+.
What are the key properties of N-(4-bromo-3,5-difluorophenyl)ethanimine?
N-(4-bromo-3,5-difluorophenyl)ethanimine has a molecular weight of 234.04 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-difluorophenyl)ethanimine is sourced from PubChem (CID 129132046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).