1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

C15H11BrF3N — CID 14913787

IUPAC1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF3N/c1-10(11-6-8-12(16)9-7-11)20-14-5-3-2-4-13(14)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyNXCGVMAKHIUTIH-KEBDBYFISA-N
MW342.16 g/mol
LogP5.61
Rot. Bonds2

About 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 14913787) has the molecular formula C15H11BrF3N and a molecular weight of 342.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID14913787
Molecular FormulaC15H11BrF3N
Molecular Weight342.16 g/mol
Exact Mass341.00
IUPAC Name1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF3N/c1-10(11-6-8-12(16)9-7-11)20-14-5-3-2-4-13(14)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyNXCGVMAKHIUTIH-KEBDBYFISA-N
XLogP5.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.16
LogP ≤ 55.61
H-Bond Donors ≤ 50
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-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 14913787) is 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\c1ccccc1C(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is NXCGVMAKHIUTIH-KEBDBYFISA-N. The full InChI is InChI=1S/C15H11BrF3N/c1-10(11-6-8-12(16)9-7-11)20-14-5-3-2-4-13(14)15(17,18)19/h2-9H,1H3/b20-10+.
What are the key properties of 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 342.16 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 14913787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).