2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone

C11H6F3NOS — CID 44541233

IUPAC2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
SMILESO=C(c1ccc(-c2ccccn2)s1)C(F)(F)F
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)10(16)9-5-4-8(17-9)7-3-1-2-6-15-7/h1-6H
InChIKeyYXEWEQZVMXDAJJ-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.56
Rot. Bonds2

About 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone

2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone (PubChem CID 44541233) has the molecular formula C11H6F3NOS and a molecular weight of 257.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
PubChem CID44541233
Molecular FormulaC11H6F3NOS
Molecular Weight257.24 g/mol
Exact Mass257.01
IUPAC Name2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
SMILESO=C(c1ccc(-c2ccccn2)s1)C(F)(F)F
InChIInChI=1S/C11H6F3NOS/c12-11(13,14)10(16)9-5-4-8(17-9)7-3-1-2-6-15-7/h1-6H
InChIKeyYXEWEQZVMXDAJJ-UHFFFAOYSA-N
XLogP3.56
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Pyridin-2-yl)thiophene-2-carboxylic acid
CID 736482
N-hydroxy-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 10242569
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
2-Chloro-1-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1474328
5-(Pyridin-3-yl)thiophene-2-carbaldehyde
CID 10899427
N-(1-(pyridin-4-yl)ethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44589735
(E)-1-Pyridin-2-yl-3-thiophen-2-yl-propenone
CID 6244095
Thieno[3,2-b]pyridine-2-carbaldehyde
CID 13220435
1-(5-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-1-ethanone
CID 1487180
2-(5-(5-Amino-pyrid-2-yl)-thieno-2-yl)-2-oxoethyl Ethyl Trithiocarbonate
CID 24893969
2-(5-Acetyl-2-thienyl)-3-(4-pyridinyl)acrylonitrile
CID 1488546
2-(5-Ethyl-2-methylpyridin-1-ium-1-yl)-1-thiophen-2-ylethanone chloride
CID 16309063

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone (CID 44541233) is 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone is O=C(c1ccc(-c2ccccn2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone?
The InChIKey is YXEWEQZVMXDAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NOS/c12-11(13,14)10(16)9-5-4-8(17-9)7-3-1-2-6-15-7/h1-6H.
What are the key properties of 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone?
2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone has a molecular weight of 257.24 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(5-pyridin-2-ylthiophen-2-yl)ethanone is sourced from PubChem (CID 44541233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).