ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate

C11H9Cl2F3N2O2 — CID 134106161

IUPACethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
SMILESCCOC(=O)/C(=N/Nc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3N2O2/c1-2-20-10(19)9(11(14,15)16)18-17-8-4-3-6(12)5-7(8)13/h3-5,17H,2H2,1H3/b18-9-
InChIKeyQIFKYQRNJUYAQC-NVMNQCDNSA-N
MW329.11 g/mol
LogP3.89
Rot. Bonds4

About ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate

ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate (PubChem CID 134106161) has the molecular formula C11H9Cl2F3N2O2 and a molecular weight of 329.11 g/mol. Its IUPAC name is ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
PubChem CID134106161
Molecular FormulaC11H9Cl2F3N2O2
Molecular Weight329.11 g/mol
Exact Mass328.00
IUPAC Nameethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
SMILESCCOC(=O)/C(=N/Nc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3N2O2/c1-2-20-10(19)9(11(14,15)16)18-17-8-4-3-6(12)5-7(8)13/h3-5,17H,2H2,1H3/b18-9-
InChIKeyQIFKYQRNJUYAQC-NVMNQCDNSA-N
XLogP3.89
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.11
LogP ≤ 53.89
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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Related Compounds

ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 12858861
ethyl (2E)-2-[(2,4-dichlorophenyl)hydrazinylidene]-2-iodoacetate
CID 24873970
ethyl (2Z)-2-cyano-2-[(2,4-dichlorophenyl)hydrazinylidene]acetate
CID 6199683
ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,4-dichlorophenyl)hydrazinylidene]butanoate
CID 6413876
ethyl 2-(4-chlorophenyl)imino-3,3,3-trifluoropropanoate
CID 15273554
ethyl (2E)-2-[[2-chloro-4-[3-chloro-4-[(2E)-2-(1-ethoxy-1-oxopropan-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]propanoate
CID 177479961
ethyl (2E)-4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 10600492
ethyl 4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-4-oxobutanoate
CID 85200793
ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
CID 131632768
ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
CID 59664793
ethyl 4-[(2,4-dichlorophenyl)hydrazinylidene]-3-methyl-2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 87640977

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate?
The IUPAC name of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate (CID 134106161) is ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate.
What is the SMILES notation for ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate?
The canonical SMILES for ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate is CCOC(=O)/C(=N/Nc1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate?
The InChIKey is QIFKYQRNJUYAQC-NVMNQCDNSA-N. The full InChI is InChI=1S/C11H9Cl2F3N2O2/c1-2-20-10(19)9(11(14,15)16)18-17-8-4-3-6(12)5-7(8)13/h3-5,17H,2H2,1H3/b18-9-.
What are the key properties of ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate?
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate has a molecular weight of 329.11 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate is sourced from PubChem (CID 134106161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).