N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine

C14H9BrF3N — CID 2797496

IUPACN-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
SMILESFC(F)(F)c1cc(Br)ccc1/N=C/c1ccccc1
InChIInChI=1S/C14H9BrF3N/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-9H/b19-9+
InChIKeyPPAKLDGNVIEJCO-DJKKODMXSA-N
MW328.13 g/mol
LogP5.22
Rot. Bonds2

About N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine

N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine (PubChem CID 2797496) has the molecular formula C14H9BrF3N and a molecular weight of 328.13 g/mol. Its IUPAC name is N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
PubChem CID2797496
Molecular FormulaC14H9BrF3N
Molecular Weight328.13 g/mol
Exact Mass326.99
IUPAC NameN-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine
SMILESFC(F)(F)c1cc(Br)ccc1/N=C/c1ccccc1
InChIInChI=1S/C14H9BrF3N/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-9H/b19-9+
InChIKeyPPAKLDGNVIEJCO-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'}

Analyze N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine 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 N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The IUPAC name of N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine (CID 2797496) is N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine.
What is the SMILES notation for N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The canonical SMILES for N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine is FC(F)(F)c1cc(Br)ccc1/N=C/c1ccccc1.
What is the InChIKey of N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
The InChIKey is PPAKLDGNVIEJCO-DJKKODMXSA-N. The full InChI is InChI=1S/C14H9BrF3N/c15-11-6-7-13(12(8-11)14(16,17)18)19-9-10-4-2-1-3-5-10/h1-9H/b19-9+.
What are the key properties of N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine?
N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine 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 N-[4-bromo-2-(trifluoromethyl)phenyl]-1-phenylmethanimine is sourced from PubChem (CID 2797496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).