ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone

C13H14F3NOS — CID 143534015

IUPACethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone
SMILESCC.CC(=O)c1ccc(C2=NCC(C(F)(F)F)=C2)s1
InChIInChI=1S/C11H8F3NOS.C2H6/c1-6(16)9-2-3-10(17-9)8-4-7(5-15-8)11(12,13)14;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyPEYYBOXOSDCVDS-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.27
Rot. Bonds2

About ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone

ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone (PubChem CID 143534015) has the molecular formula C13H14F3NOS and a molecular weight of 289.32 g/mol. Its IUPAC name is ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone
PubChem CID143534015
Molecular FormulaC13H14F3NOS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Nameethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone
SMILESCC.CC(=O)c1ccc(C2=NCC(C(F)(F)F)=C2)s1
InChIInChI=1S/C11H8F3NOS.C2H6/c1-6(16)9-2-3-10(17-9)8-4-7(5-15-8)11(12,13)14;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyPEYYBOXOSDCVDS-UHFFFAOYSA-N
XLogP4.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]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 ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
The IUPAC name of ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone (CID 143534015) is ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
The canonical SMILES for ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone is CC.CC(=O)c1ccc(C2=NCC(C(F)(F)F)=C2)s1.
What is the InChIKey of ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
The InChIKey is PEYYBOXOSDCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS.C2H6/c1-6(16)9-2-3-10(17-9)8-4-7(5-15-8)11(12,13)14;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone has a molecular weight of 289.32 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 143534015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).