2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone

C7H6F3NOS — CID 82611909

IUPAC2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
SMILESNCC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)6-2-1-5(13-6)4(12)3-11/h1-2H,3,11H2
InChIKeyMFOHKWXYSDMGGV-UHFFFAOYSA-N
MW209.19 g/mol
LogP1.91
Rot. Bonds2

About 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone

2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone (PubChem CID 82611909) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
PubChem CID82611909
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
SMILESNCC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)6-2-1-5(13-6)4(12)3-11/h1-2H,3,11H2
InChIKeyMFOHKWXYSDMGGV-UHFFFAOYSA-N
XLogP1.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone 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-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The IUPAC name of 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone (CID 82611909) is 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone is NCC(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The InChIKey is MFOHKWXYSDMGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)6-2-1-5(13-6)4(12)3-11/h1-2H,3,11H2.
What are the key properties of 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone has a molecular weight of 209.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 82611909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).