(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine

C10H9BrF3NO — CID 88957305

IUPAC(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6(15-16-2)8-5-7(11)3-4-9(8)10(12,13)14/h3-5H,1-2H3/b15-6+
InChIKeyGGVOGDVUJQWGLL-GIDUJCDVSA-N
MW296.09 g/mol
LogP3.84
Rot. Bonds2

About (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine

(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine (PubChem CID 88957305) has the molecular formula C10H9BrF3NO and a molecular weight of 296.09 g/mol. Its IUPAC name is (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
PubChem CID88957305
Molecular FormulaC10H9BrF3NO
Molecular Weight296.09 g/mol
Exact Mass294.98
IUPAC Name(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine
SMILESCO/N=C(\C)c1cc(Br)ccc1C(F)(F)F
InChIInChI=1S/C10H9BrF3NO/c1-6(15-16-2)8-5-7(11)3-4-9(8)10(12,13)14/h3-5H,1-2H3/b15-6+
InChIKeyGGVOGDVUJQWGLL-GIDUJCDVSA-N
XLogP3.84
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 53.84
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'}

Analyze (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The IUPAC name of (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine (CID 88957305) is (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine.
What is the SMILES notation for (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The canonical SMILES for (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine is CO/N=C(\C)c1cc(Br)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
The InChIKey is GGVOGDVUJQWGLL-GIDUJCDVSA-N. The full InChI is InChI=1S/C10H9BrF3NO/c1-6(15-16-2)8-5-7(11)3-4-9(8)10(12,13)14/h3-5H,1-2H3/b15-6+.
What are the key properties of (E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine?
(E)-1-[5-bromo-2-(trifluoromethyl)phenyl]-N-methoxyethanimine has a molecular weight of 296.09 g/mol, XLogP of 3.84, 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-(trifluoromethyl)phenyl]-N-methoxyethanimine is sourced from PubChem (CID 88957305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).