2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine

C15H12F3NO — CID 15887138

IUPAC2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine
SMILESCOc1ccc(/N=C(/c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO/c1-20-13-9-7-12(8-10-13)19-14(15(16,17)18)11-5-3-2-4-6-11/h2-10H,1H3/b19-14-
InChIKeyPQGWMIMWOGQFEQ-RGEXLXHISA-N
MW279.26 g/mol
LogP4.38
Rot. Bonds3

About 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine

2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine (PubChem CID 15887138) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine
PubChem CID15887138
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine
SMILESCOc1ccc(/N=C(/c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H12F3NO/c1-20-13-9-7-12(8-10-13)19-14(15(16,17)18)11-5-3-2-4-6-11/h2-10H,1H3/b19-14-
InChIKeyPQGWMIMWOGQFEQ-RGEXLXHISA-N
XLogP4.38
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine?
The IUPAC name of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine (CID 15887138) is 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine is COc1ccc(/N=C(/c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine?
The InChIKey is PQGWMIMWOGQFEQ-RGEXLXHISA-N. The full InChI is InChI=1S/C15H12F3NO/c1-20-13-9-7-12(8-10-13)19-14(15(16,17)18)11-5-3-2-4-6-11/h2-10H,1H3/b19-14-.
What are the key properties of 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine?
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine has a molecular weight of 279.26 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-methoxyphenyl)-1-phenylethanimine is sourced from PubChem (CID 15887138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).