N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine

C15H11ClF3N — CID 45050983

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine
SMILESC/C(=N\c1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11ClF3N/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyXXBWCGAGOXQTEY-KEBDBYFISA-N
MW297.71 g/mol
LogP5.50
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine

N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine (PubChem CID 45050983) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine
PubChem CID45050983
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine
SMILESC/C(=N\c1ccc(Cl)cc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H11ClF3N/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyXXBWCGAGOXQTEY-KEBDBYFISA-N
XLogP5.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.71
LogP ≤ 55.50
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 N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine (CID 45050983) is N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine is C/C(=N\c1ccc(Cl)cc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine?
The InChIKey is XXBWCGAGOXQTEY-KEBDBYFISA-N. The full InChI is InChI=1S/C15H11ClF3N/c1-10(11-5-3-2-4-6-11)20-14-8-7-12(16)9-13(14)15(17,18)19/h2-9H,1H3/b20-10+.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine?
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine has a molecular weight of 297.71 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylethanimine is sourced from PubChem (CID 45050983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).