ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate

C13H17F2NO4 — CID 103237096

IUPACethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
SMILESCCOC(=O)COCCNc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO4/c1-2-19-12(17)9-18-8-7-16-10-3-5-11(6-4-10)20-13(14)15/h3-6,13,16H,2,7-9H2,1H3
InChIKeyYRFSYNCPVRUHSR-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.28
Rot. Bonds9

About ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate

ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate (PubChem CID 103237096) has the molecular formula C13H17F2NO4 and a molecular weight of 289.28 g/mol. Its IUPAC name is ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
PubChem CID103237096
Molecular FormulaC13H17F2NO4
Molecular Weight289.28 g/mol
Exact Mass289.11
IUPAC Nameethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate
SMILESCCOC(=O)COCCNc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H17F2NO4/c1-2-19-12(17)9-18-8-7-16-10-3-5-11(6-4-10)20-13(14)15/h3-6,13,16H,2,7-9H2,1H3
InChIKeyYRFSYNCPVRUHSR-UHFFFAOYSA-N
XLogP2.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-[4-methyl-3-(trifluoromethyl)anilino]ethoxy]acetate
CID 103246942
ethyl 2-[2-(3-bromoanilino)ethoxy]acetate
CID 103234447
ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
ethyl 2-[2-(2,5-difluoroanilino)ethoxy]acetate
CID 103232811
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
N-carbamoyl-2-[4-(difluoromethoxy)anilino]acetamide
CID 43089723
ethyl 2-chloro-2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 86674809
4-[4-(difluoromethoxy)anilino]-N-methylbutanamide
CID 63892048
ethyl 4-[[4-(difluoromethoxy)benzoyl]amino]benzoate
CID 2677138
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate (CID 103237096) is ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate is CCOC(=O)COCCNc1ccc(OC(F)F)cc1.
What is the InChIKey of ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate?
The InChIKey is YRFSYNCPVRUHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO4/c1-2-19-12(17)9-18-8-7-16-10-3-5-11(6-4-10)20-13(14)15/h3-6,13,16H,2,7-9H2,1H3.
What are the key properties of ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate?
ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate has a molecular weight of 289.28 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(difluoromethoxy)anilino]ethoxy]acetate is sourced from PubChem (CID 103237096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).