ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate

C12H15F2NO3 — CID 103232811

IUPACethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
SMILESCCOC(=O)COCCNc1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO3/c1-2-18-12(16)8-17-6-5-15-11-7-9(13)3-4-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyZWSRNLSLIHSZBO-UHFFFAOYSA-N
MW259.25 g/mol
LogP1.96
Rot. Bonds7

About ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate

ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate (PubChem CID 103232811) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
PubChem CID103232811
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Nameethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
SMILESCCOC(=O)COCCNc1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO3/c1-2-18-12(16)8-17-6-5-15-11-7-9(13)3-4-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyZWSRNLSLIHSZBO-UHFFFAOYSA-N
XLogP1.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(5-bromo-4-fluoro-2-methylanilino)ethoxy]acetate
CID 107592905
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606
ethyl 3-(5-chloro-2-fluoroanilino)propanoate
CID 43438452
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
ethyl 2-[2-(5-bromo-2-iodoanilino)ethoxy]acetate
CID 114260627
ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
CID 103246942
ethyl 2-[2-(3-bromoanilino)ethoxy]acetate
CID 103234447
methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
CID 103237096
ethyl 2-[2-(5-chloro-2,4-dimethoxyanilino)ethoxy]acetate
CID 103233182
ethyl 2-[2-(2-bromo-4-cyanoanilino)ethoxy]acetate
CID 107791384

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate (CID 103232811) is ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate is CCOC(=O)COCCNc1cc(F)ccc1F.
What is the InChIKey of ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate?
The InChIKey is ZWSRNLSLIHSZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-2-18-12(16)8-17-6-5-15-11-7-9(13)3-4-10(11)14/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate?
ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate has a molecular weight of 259.25 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate is sourced from PubChem (CID 103232811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).