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

C6H9F2NO3 — CID 103514329

IUPACethyl 2-[(2,2-difluoroacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(F)F
InChIInChI=1S/C6H9F2NO3/c1-2-12-4(10)3-9-6(11)5(7)8/h5H,2-3H2,1H3,(H,9,11)
InChIKeyGNYTVFNKRSMDHJ-UHFFFAOYSA-N
MW181.14 g/mol
LogP-0.07
Rot. Bonds4

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

ethyl 2-[(2,2-difluoroacetyl)amino]acetate (PubChem CID 103514329) has the molecular formula C6H9F2NO3 and a molecular weight of 181.14 g/mol. Its IUPAC name is ethyl 2-[(2,2-difluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,2-difluoroacetyl)amino]acetate
PubChem CID103514329
Molecular FormulaC6H9F2NO3
Molecular Weight181.14 g/mol
Exact Mass181.06
IUPAC Nameethyl 2-[(2,2-difluoroacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(F)F
InChIInChI=1S/C6H9F2NO3/c1-2-12-4(10)3-9-6(11)5(7)8/h5H,2-3H2,1H3,(H,9,11)
InChIKeyGNYTVFNKRSMDHJ-UHFFFAOYSA-N
XLogP-0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.14
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2-difluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,2-difluoroacetyl)amino]acetate (CID 103514329) is ethyl 2-[(2,2-difluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,2-difluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,2-difluoroacetyl)amino]acetate is CCOC(=O)CNC(=O)C(F)F.
What is the InChIKey of ethyl 2-[(2,2-difluoroacetyl)amino]acetate?
The InChIKey is GNYTVFNKRSMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO3/c1-2-12-4(10)3-9-6(11)5(7)8/h5H,2-3H2,1H3,(H,9,11).
What are the key properties of ethyl 2-[(2,2-difluoroacetyl)amino]acetate?
ethyl 2-[(2,2-difluoroacetyl)amino]acetate has a molecular weight of 181.14 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2-difluoroacetyl)amino]acetate is sourced from PubChem (CID 103514329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).