ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate

C15H18F3N3O3 — CID 6517601

IUPACethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-14(22)13(21-7-9-23-10-8-21)20-19-12-6-4-3-5-11(12)15(16,17)18/h3-6,19H,2,7-10H2,1H3/b20-13-
InChIKeyYGLWTMUXBMOKNG-MOSHPQCFSA-N
MW345.32 g/mol
LogP2.33
Rot. Bonds3

About ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate

ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate (PubChem CID 6517601) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
PubChem CID6517601
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Nameethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N/Nc1ccccc1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C15H18F3N3O3/c1-2-24-14(22)13(21-7-9-23-10-8-21)20-19-12-6-4-3-5-11(12)15(16,17)18/h3-6,19H,2,7-10H2,1H3/b20-13-
InChIKeyYGLWTMUXBMOKNG-MOSHPQCFSA-N
XLogP2.33
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.33
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'}

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Related Compounds

ethyl 2-pyrrolidin-1-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2309713
ethyl 2-(4-benzylpiperidin-1-yl)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 2313909
ethyl 2-[2-(trifluoromethyl)anilino]propanoate
CID 55031551
ethyl 1-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperidine-4-carboxylate
CID 2727981
1-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
CID 6217554
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 6506652
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108960459
2-(2-morpholin-4-ylethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 134065021
2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 6495060
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]acetate
CID 7722061
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
1-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 125179623

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate (CID 6517601) is ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate is CCOC(=O)/C(=N/Nc1ccccc1C(F)(F)F)N1CCOCC1.
What is the InChIKey of ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
The InChIKey is YGLWTMUXBMOKNG-MOSHPQCFSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-2-24-14(22)13(21-7-9-23-10-8-21)20-19-12-6-4-3-5-11(12)15(16,17)18/h3-6,19H,2,7-10H2,1H3/b20-13-.
What are the key properties of ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate?
ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate has a molecular weight of 345.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 6517601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).