ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate

C18H16F3NO3 — CID 135078810

IUPACethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO3/c1-3-25-17(23)16(22-14-8-10-15(24-2)11-9-14)12-4-6-13(7-5-12)18(19,20)21/h4-11H,3H2,1-2H3/b22-16-
InChIKeyZPXWQBLWNRATGV-JWGURIENSA-N
MW351.32 g/mol
LogP4.40
Rot. Bonds5

About ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate

ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 135078810) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID135078810
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Nameethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3NO3/c1-3-25-17(23)16(22-14-8-10-15(24-2)11-9-14)12-4-6-13(7-5-12)18(19,20)21/h4-11H,3H2,1-2H3/b22-16-
InChIKeyZPXWQBLWNRATGV-JWGURIENSA-N
XLogP4.40
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4-Methoxyphenyl)methylideneamino]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 57396459
Methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
Benzyl 3,3,3-trifluoro-2-(4-methoxyphenyl)iminopropanoate
CID 11078235
[(E)-5-phenylpent-2-enyl] 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidate
CID 11245421
[(E)-3-phenylprop-2-enyl] 2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidate
CID 11461799
Benzenamine, 4-methoxy-N-[1-[4-(trifluoromethyl)phenyl]ethylidene]-
CID 11609020
Methyl 2-(3-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 11977325
N-[alpha-(Trifluoromethyl)benzylidene]-4-methoxyaniline
CID 15887138
Tert-butyl 4-(3-fluorophenyl)-2-(4-methoxyphenyl)iminobut-3-ynoate
CID 24881286
2,2,2-trifluoro-N-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 53483171
2,2,2-trifluoro-1-(3-methoxyphenyl)-N-(4-methoxyphenyl)ethanimine
CID 56590726
Methyl 2-(2-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 60166816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate (CID 135078810) is ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate is CCOC(=O)/C(=N\c1ccc(OC)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is ZPXWQBLWNRATGV-JWGURIENSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-3-25-17(23)16(22-14-8-10-15(24-2)11-9-14)12-4-6-13(7-5-12)18(19,20)21/h4-11H,3H2,1-2H3/b22-16-.
What are the key properties of ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate?
ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 351.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxyphenyl)imino-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 135078810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).