(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine

C17H12ClF6NO — CID 59021180

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N\OCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H12ClF6NO/c1-10(13-8-12(18)6-7-15(13)17(22,23)24)25-26-9-11-4-2-3-5-14(11)16(19,20)21/h2-8H,9H2,1H3/b25-10+
InChIKeyWTFZKFPEZUFKGO-KIBLKLHPSA-N
MW395.73 g/mol
LogP6.32
Rot. Bonds4

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 59021180) has the molecular formula C17H12ClF6NO and a molecular weight of 395.73 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID59021180
Molecular FormulaC17H12ClF6NO
Molecular Weight395.73 g/mol
Exact Mass395.05
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N\OCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C17H12ClF6NO/c1-10(13-8-12(18)6-7-15(13)17(22,23)24)25-26-9-11-4-2-3-5-14(11)16(19,20)21/h2-8H,9H2,1H3/b25-10+
InChIKeyWTFZKFPEZUFKGO-KIBLKLHPSA-N
XLogP6.32
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.73
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 59021180) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine is C/C(=N\OCc1ccccc1C(F)(F)F)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is WTFZKFPEZUFKGO-KIBLKLHPSA-N. The full InChI is InChI=1S/C17H12ClF6NO/c1-10(13-8-12(18)6-7-15(13)17(22,23)24)25-26-9-11-4-2-3-5-14(11)16(19,20)21/h2-8H,9H2,1H3/b25-10+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine has a molecular weight of 395.73 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[[2-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 59021180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).