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

C11H8F3NOS — CID 143534016

IUPAC1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C2=NCC(C(F)(F)F)=C2)s1
InChIInChI=1S/C11H8F3NOS/c1-6(16)9-2-3-10(17-9)8-4-7(5-15-8)11(12,13)14/h2-4H,5H2,1H3
InChIKeyDFCWOQITUITFFQ-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.24
Rot. Bonds2

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

1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone (PubChem CID 143534016) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone
PubChem CID143534016
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C2=NCC(C(F)(F)F)=C2)s1
InChIInChI=1S/C11H8F3NOS/c1-6(16)9-2-3-10(17-9)8-4-7(5-15-8)11(12,13)14/h2-4H,5H2,1H3
InChIKeyDFCWOQITUITFFQ-UHFFFAOYSA-N
XLogP3.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone (CID 143534016) is 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(C2=NCC(C(F)(F)F)=C2)s1.
What is the InChIKey of 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
The InChIKey is DFCWOQITUITFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c1-6(16)9-2-3-10(17-9)8-4-7(5-15-8)11(12,13)14/h2-4H,5H2,1H3.
What are the key properties of 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone?
1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone has a molecular weight of 259.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(trifluoromethyl)-2H-pyrrol-5-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 143534016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).