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

C15H11ClF3N — CID 139245860

IUPACN-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3N/c1-10(20-14-8-6-13(16)7-9-14)11-2-4-12(5-3-11)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyNVFIZNDTDOMZTB-KEBDBYFISA-N
MW297.71 g/mol
LogP5.50
Rot. Bonds2

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

N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 139245860) has the molecular formula C15H11ClF3N and a molecular weight of 297.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID139245860
Molecular FormulaC15H11ClF3N
Molecular Weight297.71 g/mol
Exact Mass297.05
IUPAC NameN-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3N/c1-10(20-14-8-6-13(16)7-9-14)11-2-4-12(5-3-11)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyNVFIZNDTDOMZTB-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-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 139245860) is N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine is C/C(=N\c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is NVFIZNDTDOMZTB-KEBDBYFISA-N. The full InChI is InChI=1S/C15H11ClF3N/c1-10(20-14-8-6-13(16)7-9-14)11-2-4-12(5-3-11)15(17,18)19/h2-9H,1H3/b20-10+.
What are the key properties of N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine 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-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 139245860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).