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

C14H7F3N2O2S — CID 44563237

IUPAC2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nnc(-c3ccccc3)o2)s1)C(F)(F)F
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)11(20)9-6-7-10(22-9)13-19-18-12(21-13)8-4-2-1-3-5-8/h1-7H
InChIKeyLXLLDZJAYOJSSU-UHFFFAOYSA-N
MW324.28 g/mol
LogP4.21
Rot. Bonds3

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

2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone (PubChem CID 44563237) has the molecular formula C14H7F3N2O2S and a molecular weight of 324.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone
PubChem CID44563237
Molecular FormulaC14H7F3N2O2S
Molecular Weight324.28 g/mol
Exact Mass324.02
IUPAC Name2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nnc(-c3ccccc3)o2)s1)C(F)(F)F
InChIInChI=1S/C14H7F3N2O2S/c15-14(16,17)11(20)9-6-7-10(22-9)13-19-18-12(21-13)8-4-2-1-3-5-8/h1-7H
InChIKeyLXLLDZJAYOJSSU-UHFFFAOYSA-N
XLogP4.21
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 54.21
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-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone (CID 44563237) is 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone is O=C(c1ccc(-c2nnc(-c3ccccc3)o2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone?
The InChIKey is LXLLDZJAYOJSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O2S/c15-14(16,17)11(20)9-6-7-10(22-9)13-19-18-12(21-13)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone has a molecular weight of 324.28 g/mol, XLogP of 4.21, 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-(5-phenyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 44563237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).