2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone

C14H6F4N2O2S — CID 44562762

IUPAC2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)C(F)(F)F
InChIInChI=1S/C14H6F4N2O2S/c15-8-3-1-7(2-4-8)12-19-13(22-20-12)10-6-5-9(23-10)11(21)14(16,17)18/h1-6H
InChIKeyYOHGFGBUOGYNHX-UHFFFAOYSA-N
MW342.27 g/mol
LogP4.35
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone (PubChem CID 44562762) has the molecular formula C14H6F4N2O2S and a molecular weight of 342.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
PubChem CID44562762
Molecular FormulaC14H6F4N2O2S
Molecular Weight342.27 g/mol
Exact Mass342.01
IUPAC Name2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)C(F)(F)F
InChIInChI=1S/C14H6F4N2O2S/c15-8-3-1-7(2-4-8)12-19-13(22-20-12)10-6-5-9(23-10)11(21)14(16,17)18/h1-6H
InChIKeyYOHGFGBUOGYNHX-UHFFFAOYSA-N
XLogP4.35
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone (CID 44562762) is 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone is O=C(c1ccc(-c2nc(-c3ccc(F)cc3)no2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
The InChIKey is YOHGFGBUOGYNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F4N2O2S/c15-8-3-1-7(2-4-8)12-19-13(22-20-12)10-6-5-9(23-10)11(21)14(16,17)18/h1-6H.
What are the key properties of 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone has a molecular weight of 342.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 44562762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).