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

C7H5F3OS — CID 23543740

IUPAC1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H5F3OS/c1-4(11)5-2-3-6(12-5)7(8,9)10/h2-3H,1H3
InChIKeyXJBFXBLFFYCAMG-UHFFFAOYSA-N
MW194.18 g/mol
LogP2.97
Rot. Bonds1

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

1-[5-(trifluoromethyl)thiophen-2-yl]ethanone (PubChem CID 23543740) has the molecular formula C7H5F3OS and a molecular weight of 194.18 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
PubChem CID23543740
Molecular FormulaC7H5F3OS
Molecular Weight194.18 g/mol
Exact Mass194.00
IUPAC Name1-[5-(trifluoromethyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H5F3OS/c1-4(11)5-2-3-6(12-5)7(8,9)10/h2-3H,1H3
InChIKeyXJBFXBLFFYCAMG-UHFFFAOYSA-N
XLogP2.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone (CID 23543740) is 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
The InChIKey is XJBFXBLFFYCAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3OS/c1-4(11)5-2-3-6(12-5)7(8,9)10/h2-3H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone?
1-[5-(trifluoromethyl)thiophen-2-yl]ethanone has a molecular weight of 194.18 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 23543740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).