(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine

C16H13ClF3NO — CID 123518622

IUPAC(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N/Oc1ccc(Cl)cc1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-3-8-14(15(9-10)16(18,19)20)11(2)21-22-13-6-4-12(17)5-7-13/h3-9H,1-2H3/b21-11-
InChIKeyLUJSFHBVBFYZBF-NHDPSOOVSA-N
MW327.73 g/mol
LogP5.47
Rot. Bonds3

About (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine

(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 123518622) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID123518622
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N/Oc1ccc(Cl)cc1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-3-8-14(15(9-10)16(18,19)20)11(2)21-22-13-6-4-12(17)5-7-13/h3-9H,1-2H3/b21-11-
InChIKeyLUJSFHBVBFYZBF-NHDPSOOVSA-N
XLogP5.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.73
LogP ≤ 55.47
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 (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine (CID 123518622) is (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine is C/C(=N/Oc1ccc(Cl)cc1)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is LUJSFHBVBFYZBF-NHDPSOOVSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-10-3-8-14(15(9-10)16(18,19)20)11(2)21-22-13-6-4-12(17)5-7-13/h3-9H,1-2H3/b21-11-.
What are the key properties of (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 327.73 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 123518622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).