ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate

C11H11ClF2N2O3 — CID 130194422

IUPACethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N\Nc1ccccc1OC(F)F
InChIInChI=1S/C11H11ClF2N2O3/c1-2-18-10(17)9(12)16-15-7-5-3-4-6-8(7)19-11(13)14/h3-6,11,15H,2H2,1H3/b16-9+
InChIKeyHGNSPCDEFGPBGK-CXUHLZMHSA-N
MW292.67 g/mol
LogP2.82
Rot. Bonds6

About ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate

ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate (PubChem CID 130194422) has the molecular formula C11H11ClF2N2O3 and a molecular weight of 292.67 g/mol. Its IUPAC name is ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
PubChem CID130194422
Molecular FormulaC11H11ClF2N2O3
Molecular Weight292.67 g/mol
Exact Mass292.04
IUPAC Nameethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N\Nc1ccccc1OC(F)F
InChIInChI=1S/C11H11ClF2N2O3/c1-2-18-10(17)9(12)16-15-7-5-3-4-6-8(7)19-11(13)14/h3-6,11,15H,2H2,1H3/b16-9+
InChIKeyHGNSPCDEFGPBGK-CXUHLZMHSA-N
XLogP2.82
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate (CID 130194422) is ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate is CCOC(=O)/C(Cl)=N\Nc1ccccc1OC(F)F.
What is the InChIKey of ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
The InChIKey is HGNSPCDEFGPBGK-CXUHLZMHSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3/c1-2-18-10(17)9(12)16-15-7-5-3-4-6-8(7)19-11(13)14/h3-6,11,15H,2H2,1H3/b16-9+.
What are the key properties of ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate has a molecular weight of 292.67 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 130194422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).