ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate

C18H17F3N2O2 — CID 135053601

IUPACethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate
SMILESCCOC(=O)/C(Cc1ccccc1)=N/Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-2-25-17(24)16(12-13-8-4-3-5-9-13)23-22-15-11-7-6-10-14(15)18(19,20)21/h3-11,22H,2,12H2,1H3/b23-16+
InChIKeyAOGJKFUVLKRZOD-XQNSMLJCSA-N
MW350.34 g/mol
LogP4.28
Rot. Bonds6

About ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate

ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate (PubChem CID 135053601) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate.

Molecular Properties

Compound Nameethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate
PubChem CID135053601
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Nameethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate
SMILESCCOC(=O)/C(Cc1ccccc1)=N/Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-2-25-17(24)16(12-13-8-4-3-5-9-13)23-22-15-11-7-6-10-14(15)18(19,20)21/h3-11,22H,2,12H2,1H3/b23-16+
InChIKeyAOGJKFUVLKRZOD-XQNSMLJCSA-N
XLogP4.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate?
The IUPAC name of ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate (CID 135053601) is ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate.
What is the SMILES notation for ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate?
The canonical SMILES for ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate is CCOC(=O)/C(Cc1ccccc1)=N/Nc1ccccc1C(F)(F)F.
What is the InChIKey of ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate?
The InChIKey is AOGJKFUVLKRZOD-XQNSMLJCSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-2-25-17(24)16(12-13-8-4-3-5-9-13)23-22-15-11-7-6-10-14(15)18(19,20)21/h3-11,22H,2,12H2,1H3/b23-16+.
What are the key properties of ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate?
ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate has a molecular weight of 350.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-3-phenyl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]propanoate is sourced from PubChem (CID 135053601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).