2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate

C9H10F3NO2S — CID 139627986

IUPAC2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate
SMILESCCc1cc(N)c(C(=O)OCC(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-5-3-6(13)7(16-5)8(14)15-4-9(10,11)12/h3H,2,4,13H2,1H3
InChIKeyXEWXWHRKGWEWCX-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.61
Rot. Bonds3

About 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate

2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate (PubChem CID 139627986) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate
PubChem CID139627986
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate
SMILESCCc1cc(N)c(C(=O)OCC(F)(F)F)s1
InChIInChI=1S/C9H10F3NO2S/c1-2-5-3-6(13)7(16-5)8(14)15-4-9(10,11)12/h3H,2,4,13H2,1H3
InChIKeyXEWXWHRKGWEWCX-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate 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 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate (CID 139627986) is 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate is CCc1cc(N)c(C(=O)OCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate?
The InChIKey is XEWXWHRKGWEWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-5-3-6(13)7(16-5)8(14)15-4-9(10,11)12/h3H,2,4,13H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate?
2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate has a molecular weight of 253.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 3-amino-5-ethylthiophene-2-carboxylate is sourced from PubChem (CID 139627986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).