ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

C17H22F3N3O3 — CID 6022534

IUPACethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CC(C)OC(C)C1
InChIInChI=1S/C17H22F3N3O3/c1-4-25-16(24)15(23-9-11(2)26-12(3)10-23)22-21-14-7-5-6-13(8-14)17(18,19)20/h5-8,11-12,21H,4,9-10H2,1-3H3/b22-15+
InChIKeyMQBOUQSQCFHLAK-PXLXIMEGSA-N
MW373.38 g/mol
LogP3.10
Rot. Bonds3

About ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate

ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate (PubChem CID 6022534) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
PubChem CID6022534
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Nameethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CC(C)OC(C)C1
InChIInChI=1S/C17H22F3N3O3/c1-4-25-16(24)15(23-9-11(2)26-12(3)10-23)22-21-14-7-5-6-13(8-14)17(18,19)20/h5-8,11-12,21H,4,9-10H2,1-3H3/b22-15+
InChIKeyMQBOUQSQCFHLAK-PXLXIMEGSA-N
XLogP3.10
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate (CID 6022534) is ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate is CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N1CC(C)OC(C)C1.
What is the InChIKey of ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The InChIKey is MQBOUQSQCFHLAK-PXLXIMEGSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-4-25-16(24)15(23-9-11(2)26-12(3)10-23)22-21-14-7-5-6-13(8-14)17(18,19)20/h5-8,11-12,21H,4,9-10H2,1-3H3/b22-15+.
What are the key properties of ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate has a molecular weight of 373.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(2,6-dimethylmorpholin-4-yl)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 6022534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).