ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate

C11H11ClF2N2O3 — CID 86674809

IUPACethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NNc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11ClF2N2O3/c1-2-18-10(17)9(12)16-15-7-3-5-8(6-4-7)19-11(13)14/h3-6,11,15H,2H2,1H3
InChIKeyRDRVKLVOCLTDTD-UHFFFAOYSA-N
MW292.67 g/mol
LogP2.82
Rot. Bonds6

About ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate

ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate (PubChem CID 86674809) has the molecular formula C11H11ClF2N2O3 and a molecular weight of 292.67 g/mol. Its IUPAC name is ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
PubChem CID86674809
Molecular FormulaC11H11ClF2N2O3
Molecular Weight292.67 g/mol
Exact Mass292.04
IUPAC Nameethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)C(Cl)=NNc1ccc(OC(F)F)cc1
InChIInChI=1S/C11H11ClF2N2O3/c1-2-18-10(17)9(12)16-15-7-3-5-8(6-4-7)19-11(13)14/h3-6,11,15H,2H2,1H3
InChIKeyRDRVKLVOCLTDTD-UHFFFAOYSA-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

ethyl 2-chloro-2-[[4-(trifluoromethoxy)phenyl]hydrazinylidene]acetate
CID 75076919
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide
CID 175874280
ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
CID 103237096
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl N-[1-[4-(difluoromethoxy)phenyl]propylideneamino]carbamate
CID 4573633
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169337420
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
ethyl 4-[2-chloro-4-(difluoromethoxy)phenyl]-2,4-dioxobutanoate
CID 118514710
ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
CID 59664793
ethyl (2E)-2-cyano-2-[(4-ethoxyphenyl)hydrazinylidene]acetate
CID 5406081
ethyl (2Z)-2-cyano-2-[(4-methoxyphenyl)hydrazinylidene]acetate
CID 5417584
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate (CID 86674809) is ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate is CCOC(=O)C(Cl)=NNc1ccc(OC(F)F)cc1.
What is the InChIKey of ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
The InChIKey is RDRVKLVOCLTDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2O3/c1-2-18-10(17)9(12)16-15-7-3-5-8(6-4-7)19-11(13)14/h3-6,11,15H,2H2,1H3.
What are the key properties of ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate?
ethyl 2-chloro-2-[[4-(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 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 86674809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).