ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

C10H11BrF3NO2S — CID 61347013

IUPACethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF3NO2S/c1-2-17-9(16)8(15-5-10(12,13)14)6-3-4-7(11)18-6/h3-4,8,15H,2,5H2,1H3
InChIKeyFJUKKMDTUDPTNT-UHFFFAOYSA-N
MW346.17 g/mol
LogP3.27
Rot. Bonds5

About ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate

ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 61347013) has the molecular formula C10H11BrF3NO2S and a molecular weight of 346.17 g/mol. Its IUPAC name is ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
PubChem CID61347013
Molecular FormulaC10H11BrF3NO2S
Molecular Weight346.17 g/mol
Exact Mass344.96
IUPAC Nameethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOC(=O)C(NCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H11BrF3NO2S/c1-2-17-9(16)8(15-5-10(12,13)14)6-3-4-7(11)18-6/h3-4,8,15H,2,5H2,1H3
InChIKeyFJUKKMDTUDPTNT-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(5-bromothiophen-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate (CID 61347013) is ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is CCOC(=O)C(NCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is FJUKKMDTUDPTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3NO2S/c1-2-17-9(16)8(15-5-10(12,13)14)6-3-4-7(11)18-6/h3-4,8,15H,2,5H2,1H3.
What are the key properties of ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate?
ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 346.17 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 61347013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).