ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate

C10H9ClF2N2O2 — CID 59664793

IUPACethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N/Nc1cc(F)ccc1F
InChIInChI=1S/C10H9ClF2N2O2/c1-2-17-10(16)9(11)15-14-8-5-6(12)3-4-7(8)13/h3-5,14H,2H2,1H3/b15-9-
InChIKeyKDGDTKSZZQIFNS-DHDCSXOGSA-N
MW262.64 g/mol
LogP2.49
Rot. Bonds4

About ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate

ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate (PubChem CID 59664793) has the molecular formula C10H9ClF2N2O2 and a molecular weight of 262.64 g/mol. Its IUPAC name is ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
PubChem CID59664793
Molecular FormulaC10H9ClF2N2O2
Molecular Weight262.64 g/mol
Exact Mass262.03
IUPAC Nameethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N/Nc1cc(F)ccc1F
InChIInChI=1S/C10H9ClF2N2O2/c1-2-17-10(16)9(11)15-14-8-5-6(12)3-4-7(8)13/h3-5,14H,2H2,1H3/b15-9-
InChIKeyKDGDTKSZZQIFNS-DHDCSXOGSA-N
XLogP2.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.64
LogP ≤ 52.49
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

(2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetic acid
CID 87771572
ethyl (2Z)-2-[(2-fluoro-5-methylphenyl)hydrazinylidene]propanoate
CID 87824390
ethyl 2-chloro-2-[(5-chloro-2-methoxyphenyl)hydrazinylidene]acetate
CID 131632768
diethyl 2-[(2,5-difluoroanilino)methylidene]propanedioate
CID 2800566
ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 130194422
ethyl (2E)-2-[[2-(2,2-dimethylpropyl)-4-fluorophenyl]hydrazinylidene]propanoate
CID 146363539
2,5-difluoro-N-methylaniline;ethyl (Z)-2-formylhex-2-enoate
CID 156738753
ethyl 2-chloro-2-[(4-methyl-2-nitrophenyl)hydrazinylidene]acetate
CID 53395501
ethyl (2Z)-2-chloro-2-[(6-methoxy-3-pyridinyl)hydrazinylidene]acetate
CID 53485812
ethyl 2-(5-fluoro-2-hydroxyanilino)-2-oxoacetate
CID 12803552
ethyl 2-chloro-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2761310
ethyl (2Z)-2-[(2,4-dichlorophenyl)hydrazinylidene]-3,3,3-trifluoropropanoate
CID 134106161

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate (CID 59664793) is ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate is CCOC(=O)/C(Cl)=N/Nc1cc(F)ccc1F.
What is the InChIKey of ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate?
The InChIKey is KDGDTKSZZQIFNS-DHDCSXOGSA-N. The full InChI is InChI=1S/C10H9ClF2N2O2/c1-2-17-10(16)9(11)15-14-8-5-6(12)3-4-7(8)13/h3-5,14H,2H2,1H3/b15-9-.
What are the key properties of ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate?
ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate has a molecular weight of 262.64 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 59664793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).