ethyl 2-(2,2,2-trifluoroethylamino)acetate

C6H10F3NO2 — CID 28596014

IUPACethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-12-5(11)3-10-4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyWXUUYAIOCOITMT-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.70
Rot. Bonds4

About ethyl 2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 28596014) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is ethyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID28596014
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Nameethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-12-5(11)3-10-4-6(7,8)9/h10H,2-4H2,1H3
InChIKeyWXUUYAIOCOITMT-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.70
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-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-(2,2,2-trifluoroethylamino)acetate (CID 28596014) is ethyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)CNCC(F)(F)F.
What is the InChIKey of ethyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is WXUUYAIOCOITMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-12-5(11)3-10-4-6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of ethyl 2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 185.14 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 28596014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).