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

C12H8F3NOS — CID 105088699

IUPAC2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccs1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)8-3-4-10(16-7-8)11(17)6-9-2-1-5-18-9/h1-5,7H,6H2
InChIKeyNGEXGYGBSNPSJN-UHFFFAOYSA-N
MW271.26 g/mol
LogP3.59
Rot. Bonds3

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

2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 105088699) has the molecular formula C12H8F3NOS and a molecular weight of 271.26 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID105088699
Molecular FormulaC12H8F3NOS
Molecular Weight271.26 g/mol
Exact Mass271.03
IUPAC Name2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccs1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H8F3NOS/c13-12(14,15)8-3-4-10(16-7-8)11(17)6-9-2-1-5-18-9/h1-5,7H,6H2
InChIKeyNGEXGYGBSNPSJN-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-2-thiophen-2-ylethanone
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4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-one
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2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 105076540
2-propan-2-yloxy-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
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1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
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2-(thiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 105088699) is 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cccs1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is NGEXGYGBSNPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NOS/c13-12(14,15)8-3-4-10(16-7-8)11(17)6-9-2-1-5-18-9/h1-5,7H,6H2.
What are the key properties of 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 271.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 105088699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).