ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate

C8H15F2NO3 — CID 103260405

IUPACethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCC(F)F
InChIInChI=1S/C8H15F2NO3/c1-2-14-8(12)6-13-4-3-11-5-7(9)10/h7,11H,2-6H2,1H3
InChIKeyQYUQKUBMZUTTKO-UHFFFAOYSA-N
MW211.21 g/mol
LogP0.42
Rot. Bonds8

About ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate

ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate (PubChem CID 103260405) has the molecular formula C8H15F2NO3 and a molecular weight of 211.21 g/mol. Its IUPAC name is ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate
PubChem CID103260405
Molecular FormulaC8H15F2NO3
Molecular Weight211.21 g/mol
Exact Mass211.10
IUPAC Nameethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCC(F)F
InChIInChI=1S/C8H15F2NO3/c1-2-14-8(12)6-13-4-3-11-5-7(9)10/h7,11H,2-6H2,1H3
InChIKeyQYUQKUBMZUTTKO-UHFFFAOYSA-N
XLogP0.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 50.42
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

Methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate
CID 88878512
N-ethylethanamine;methyl 2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
CID 90697489
[2-[2-(2-Methoxyethoxy)ethylamino]acetyl] 2,2,2-trifluoroethaneperoxoate
CID 140174694
Fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate
CID 143750467
2-(2,2,2-Trifluoroethylamino)ethyl acetate
CID 152426239
2-[2-[2-[2-[2-(Methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 175191284
Ethyl 2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetate
CID 61490309
2-Ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 78924460
2-Methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 78924495
Ethyl 2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]acetate
CID 80189582
Ethyl 2-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethoxy]acetate
CID 80190112
2-[2-(Butylamino)ethoxy]ethyl 2,2,2-trifluoroacetate
CID 82532250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate (CID 103260405) is ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate is CCOC(=O)COCCNCC(F)F.
What is the InChIKey of ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate?
The InChIKey is QYUQKUBMZUTTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO3/c1-2-14-8(12)6-13-4-3-11-5-7(9)10/h7,11H,2-6H2,1H3.
What are the key properties of ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate?
ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate has a molecular weight of 211.21 g/mol, XLogP of 0.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,2-difluoroethylamino)ethoxy]acetate is sourced from PubChem (CID 103260405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).