N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine

C16H14F3N — CID 11737493

IUPACN-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N/c1-12(20-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10H,11H2,1H3/b20-12+
InChIKeyAABKQPHDVPIHMA-UDWIEESQSA-N
MW277.29 g/mol
LogP4.71
Rot. Bonds3

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

N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 11737493) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID11737493
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC NameN-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\Cc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N/c1-12(20-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10H,11H2,1H3/b20-12+
InChIKeyAABKQPHDVPIHMA-UDWIEESQSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine 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-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 11737493) is N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\Cc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is AABKQPHDVPIHMA-UDWIEESQSA-N. The full InChI is InChI=1S/C16H14F3N/c1-12(20-11-13-5-3-2-4-6-13)14-7-9-15(10-8-14)16(17,18)19/h2-10H,11H2,1H3/b20-12+.
What are the key properties of N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 277.29 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 11737493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).