ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate

C8H13F2NO3 — CID 103514331

IUPACethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-3-11(8(13)7(9)10)5-6(12)14-4-2/h7H,3-5H2,1-2H3
InChIKeyJGOHKCFAMXMJJO-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.66
Rot. Bonds5

About ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate

ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate (PubChem CID 103514331) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
PubChem CID103514331
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Nameethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)C(F)F
InChIInChI=1S/C8H13F2NO3/c1-3-11(8(13)7(9)10)5-6(12)14-4-2/h7H,3-5H2,1-2H3
InChIKeyJGOHKCFAMXMJJO-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
The IUPAC name of ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate (CID 103514331) is ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
The canonical SMILES for ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)C(F)F.
What is the InChIKey of ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
The InChIKey is JGOHKCFAMXMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-3-11(8(13)7(9)10)5-6(12)14-4-2/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate?
ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate has a molecular weight of 209.19 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate is sourced from PubChem (CID 103514331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).