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

Analyze ethyl 2-(2,2,2-trifluoroethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl N-methylaminoacetate hydrochloride
CID 171173
Diethyl iminodiacetate
CID 80502
Glycine, N-methyl-, ethyl ester
CID 95849
Ethyl 2-(ethylamino)acetate
CID 12591597
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Methyl 2-[(2-methoxyethyl)amino]acetate
CID 28565694
Acetic acid, (2-fluoroacetamido)-, ethyl ester
CID 9749
Ethyl 2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetate
CID 45791528
Ethyl 2-[(2-methoxyethyl)amino]acetate
CID 15818815
Methyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596013
Isopropyl [(trifluoroacetyl)amino]acetate
CID 529794
N-methylmorpholinium trifluoroacetate
CID 67341476

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).