1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine

C14H9BrF3N — CID 850167

IUPAC1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1ccccc1Br
InChIInChI=1S/C14H9BrF3N/c15-12-7-3-1-5-10(12)9-19-13-8-4-2-6-11(13)14(16,17)18/h1-9H/b19-9+
InChIKeyCBXGUQKPYXSOJC-DJKKODMXSA-N
MW328.13 g/mol
LogP5.22
Rot. Bonds2

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

1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 850167) has the molecular formula C14H9BrF3N and a molecular weight of 328.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID850167
Molecular FormulaC14H9BrF3N
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC Name1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1ccccc1Br
InChIInChI=1S/C14H9BrF3N/c15-12-7-3-1-5-10(12)9-19-13-8-4-2-6-11(13)14(16,17)18/h1-9H/b19-9+
InChIKeyCBXGUQKPYXSOJC-DJKKODMXSA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.13
LogP ≤ 55.22
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-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (CID 850167) is 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1/N=C/c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is CBXGUQKPYXSOJC-DJKKODMXSA-N. The full InChI is InChI=1S/C14H9BrF3N/c15-12-7-3-1-5-10(12)9-19-13-8-4-2-6-11(13)14(16,17)18/h1-9H/b19-9+.
What are the key properties of 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 328.13 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 850167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).