1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

C17H16F3N — CID 45051342

IUPAC1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCCc1ccc(/C(C)=N/c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N/c1-3-13-8-10-14(11-9-13)12(2)21-16-7-5-4-6-15(16)17(18,19)20/h4-11H,3H2,1-2H3/b21-12+
InChIKeyWWBLNBKDFOPUOZ-CIAFOILYSA-N
MW291.32 g/mol
LogP5.41
Rot. Bonds3

About 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 45051342) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID45051342
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCCc1ccc(/C(C)=N/c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C17H16F3N/c1-3-13-8-10-14(11-9-13)12(2)21-16-7-5-4-6-15(16)17(18,19)20/h4-11H,3H2,1-2H3/b21-12+
InChIKeyWWBLNBKDFOPUOZ-CIAFOILYSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.32
LogP ≤ 55.41
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-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 45051342) is 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is CCc1ccc(/C(C)=N/c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is WWBLNBKDFOPUOZ-CIAFOILYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-3-13-8-10-14(11-9-13)12(2)21-16-7-5-4-6-15(16)17(18,19)20/h4-11H,3H2,1-2H3/b21-12+.
What are the key properties of 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 291.32 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 45051342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).