1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

C15H11F4N — CID 10265709

IUPAC1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C15H11F4N/c1-10(11-5-4-6-12(16)9-11)20-14-8-3-2-7-13(14)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyQXWKXEHWTWVYTL-KEBDBYFISA-N
MW281.25 g/mol
LogP4.99
Rot. Bonds2

About 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 10265709) has the molecular formula C15H11F4N and a molecular weight of 281.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID10265709
Molecular FormulaC15H11F4N
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Name1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\c1ccccc1C(F)(F)F)c1cccc(F)c1
InChIInChI=1S/C15H11F4N/c1-10(11-5-4-6-12(16)9-11)20-14-8-3-2-7-13(14)15(17,18)19/h2-9H,1H3/b20-10+
InChIKeyQXWKXEHWTWVYTL-KEBDBYFISA-N
XLogP4.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 54.99
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-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 10265709) is 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\c1ccccc1C(F)(F)F)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is QXWKXEHWTWVYTL-KEBDBYFISA-N. The full InChI is InChI=1S/C15H11F4N/c1-10(11-5-4-6-12(16)9-11)20-14-8-3-2-7-13(14)15(17,18)19/h2-9H,1H3/b20-10+.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 281.25 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 10265709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).