1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine

C15H12F3N — CID 12585592

IUPAC1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F3N/c1-11(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)15(16,17)18/h2-10H,1H3/b19-11+
InChIKeyUMBKACIBRAWKON-YBFXNURJSA-N
MW263.26 g/mol
LogP4.85
Rot. Bonds2

About 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine

1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 12585592) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID12585592
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC Name1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C15H12F3N/c1-11(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)15(16,17)18/h2-10H,1H3/b19-11+
InChIKeyUMBKACIBRAWKON-YBFXNURJSA-N
XLogP4.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.85
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-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 12585592) is 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\c1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is UMBKACIBRAWKON-YBFXNURJSA-N. The full InChI is InChI=1S/C15H12F3N/c1-11(12-7-3-2-4-8-12)19-14-10-6-5-9-13(14)15(16,17)18/h2-10H,1H3/b19-11+.
What are the key properties of 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine?
1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 263.26 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 12585592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).