ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate

C9H10F3NO2S — CID 11322742

IUPACethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate
SMILESCCOC(=O)Cc1sc(C(F)(F)F)cc1N
InChIInChI=1S/C9H10F3NO2S/c1-2-15-8(14)4-6-5(13)3-7(16-6)9(10,11)12/h3H,2,4,13H2,1H3
InChIKeyUFAWVUSAQRVUKS-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.45
Rot. Bonds3

About ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate

ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate (PubChem CID 11322742) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate
PubChem CID11322742
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Nameethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate
SMILESCCOC(=O)Cc1sc(C(F)(F)F)cc1N
InChIInChI=1S/C9H10F3NO2S/c1-2-15-8(14)4-6-5(13)3-7(16-6)9(10,11)12/h3H,2,4,13H2,1H3
InChIKeyUFAWVUSAQRVUKS-UHFFFAOYSA-N
XLogP2.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]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 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]-2-oxoacetate
CID 11230926
Methyl (3-amino-2-thienyl)acetate
CID 59473832
2,2,2-Trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate
CID 139627986
2-(2,2,2-Trifluoroethoxy)ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 54961809
2,2,2-Trifluoroethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61315817
2,2-Difluoroethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316388
3-(2,2,2-Trifluoroethoxy)propyl 4-amino-5-methylthiophene-2-carboxylate
CID 61491704
3,3,3-Trifluoropropyl 4-amino-5-methylthiophene-2-carboxylate
CID 64565744
2-(Trifluoromethoxy)ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 65805695
2-Fluoroethyl 4-amino-5-methylthiophene-2-carboxylate
CID 80694812
3-Fluoropropyl 4-amino-5-methylthiophene-2-carboxylate
CID 81114861
4,4,4-Trifluorobutyl 4-amino-5-methylthiophene-2-carboxylate
CID 113327246

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate?
The IUPAC name of ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate (CID 11322742) is ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate?
The canonical SMILES for ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate is CCOC(=O)Cc1sc(C(F)(F)F)cc1N.
What is the InChIKey of ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate?
The InChIKey is UFAWVUSAQRVUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-15-8(14)4-6-5(13)3-7(16-6)9(10,11)12/h3H,2,4,13H2,1H3.
What are the key properties of ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate?
ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate has a molecular weight of 253.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-5-(trifluoromethyl)thiophen-2-yl]acetate is sourced from PubChem (CID 11322742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).