2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone

C12H8F3NO2S — CID 68507084

IUPAC2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cn1
InChIInChI=1S/C12H8F3NO2S/c1-18-10-5-2-7(6-16-10)8-3-4-9(19-8)11(17)12(13,14)15/h2-6H,1H3
InChIKeyALXLYRWEAZQWDK-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.56
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone (PubChem CID 68507084) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone
PubChem CID68507084
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone
SMILESCOc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cn1
InChIInChI=1S/C12H8F3NO2S/c1-18-10-5-2-7(6-16-10)8-3-4-9(19-8)11(17)12(13,14)15/h2-6H,1H3
InChIKeyALXLYRWEAZQWDK-UHFFFAOYSA-N
XLogP3.56
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone (CID 68507084) is 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone is COc1ccc(-c2ccc(C(=O)C(F)(F)F)s2)cn1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone?
The InChIKey is ALXLYRWEAZQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c1-18-10-5-2-7(6-16-10)8-3-4-9(19-8)11(17)12(13,14)15/h2-6H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone has a molecular weight of 287.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(6-methoxy-3-pyridinyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 68507084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).