(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine

C16H13ClF3NO — CID 123826355

IUPAC(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine
SMILESC/C(=N/Oc1ccc(C)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-3-6-13(7-4-10)22-21-11(2)14-9-12(17)5-8-15(14)16(18,19)20/h3-9H,1-2H3/b21-11-
InChIKeyAVAWCYIWTAIMOQ-NHDPSOOVSA-N
MW327.73 g/mol
LogP5.47
Rot. Bonds3

About (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine

(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine (PubChem CID 123826355) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine.

Molecular Properties

Compound Name(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine
PubChem CID123826355
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine
SMILESC/C(=N/Oc1ccc(C)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c1-10-3-6-13(7-4-10)22-21-11(2)14-9-12(17)5-8-15(14)16(18,19)20/h3-9H,1-2H3/b21-11-
InChIKeyAVAWCYIWTAIMOQ-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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Related Compounds

(Z)-N-(4-chlorophenoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
CID 123518622
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(2-methylphenoxy)ethanimine
CID 123685035
(E)-N-(4-chlorophenoxy)-1-[5-chloro-2-(trifluoromethyl)phenyl]butan-1-imine
CID 88957446
(E)-N-[(4-chlorophenyl)methoxy]-1-[5-chloro-2-(trifluoromethyl)phenyl]ethanimine
CID 88957258
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenoxy]propan-1-imine
CID 88957426
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-cyclohexyloxyethanimine
CID 88957441
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-difluorophenyl)methoxy]ethanimine
CID 88957299
1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
CID 123195417
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(cyclopentylmethoxy)ethanimine
CID 88957472
CID 172981678
CID 172981678
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-1-cyclohexyl-N-(4-fluorophenoxy)methanimine
CID 88957450
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethoxy)ethanimine
CID 88957471

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine?
The IUPAC name of (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine (CID 123826355) is (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine.
What is the SMILES notation for (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine?
The canonical SMILES for (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine is C/C(=N/Oc1ccc(C)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine?
The InChIKey is AVAWCYIWTAIMOQ-NHDPSOOVSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-10-3-6-13(7-4-10)22-21-11(2)14-9-12(17)5-8-15(14)16(18,19)20/h3-9H,1-2H3/b21-11-.
What are the key properties of (Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine?
(Z)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)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)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-(4-methylphenoxy)ethanimine is sourced from PubChem (CID 123826355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).