ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate

C10H18F3NO4 — CID 103251691

IUPACethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-2-18-9(15)7-16-5-3-14-4-6-17-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyKRJDBSXTXBKDAT-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.73
Rot. Bonds10

About ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate

ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate (PubChem CID 103251691) has the molecular formula C10H18F3NO4 and a molecular weight of 273.25 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate
PubChem CID103251691
Molecular FormulaC10H18F3NO4
Molecular Weight273.25 g/mol
Exact Mass273.12
IUPAC Nameethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate
SMILESCCOC(=O)COCCNCCOCC(F)(F)F
InChIInChI=1S/C10H18F3NO4/c1-2-18-9(15)7-16-5-3-14-4-6-17-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeyKRJDBSXTXBKDAT-UHFFFAOYSA-N
XLogP0.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oxo-cryptand
CID 129654713
Bis(2-methoxyethyl)azanium;2,2,2-trifluoroacetate
CID 87299109
Methyl 2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]acetate
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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
Methyl 2-[2-[2-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 140220599
Fluoro 2-[2-[2-[2-(carbonofluoridoylamino)ethoxy]ethoxy]ethoxy]acetate
CID 143750467
2-[2-[2-[2-[2-(Methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 175191284
Methyl 2-[2-(2-aminoethoxy)ethoxy]acetate;2,2,2-trifluoroacetic acid
CID 175737005
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-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate (CID 103251691) is ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate is CCOC(=O)COCCNCCOCC(F)(F)F.
What is the InChIKey of ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate?
The InChIKey is KRJDBSXTXBKDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4/c1-2-18-9(15)7-16-5-3-14-4-6-17-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate?
ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate has a molecular weight of 273.25 g/mol, XLogP of 0.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethoxy]acetate is sourced from PubChem (CID 103251691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).