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

C6H8F3NO3 — CID 580910

IUPACethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-2-13-4(11)3-10-5(12)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyOKCDXJWEZHVZJP-UHFFFAOYSA-N
MW199.13 g/mol
LogP0.23
Rot. Bonds3

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

ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 580910) has the molecular formula C6H8F3NO3 and a molecular weight of 199.13 g/mol. Its IUPAC name is ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID580910
Molecular FormulaC6H8F3NO3
Molecular Weight199.13 g/mol
Exact Mass199.05
IUPAC Nameethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F3NO3/c1-2-13-4(11)3-10-5(12)6(7,8)9/h2-3H2,1H3,(H,10,12)
InChIKeyOKCDXJWEZHVZJP-UHFFFAOYSA-N
XLogP0.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 580910) is ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is CCOC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is OKCDXJWEZHVZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO3/c1-2-13-4(11)3-10-5(12)6(7,8)9/h2-3H2,1H3,(H,10,12).
What are the key properties of ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate?
ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 199.13 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 580910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).