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

C9H5F3N2O2S — CID 25168576

IUPAC2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
SMILESCc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1
InChIInChI=1S/C9H5F3N2O2S/c1-4-13-8(16-14-4)6-3-2-5(17-6)7(15)9(10,11)12/h2-3H,1H3
InChIKeyPHNUPEDOQIENBU-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.85
Rot. Bonds2

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

2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone (PubChem CID 25168576) has the molecular formula C9H5F3N2O2S and a molecular weight of 262.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
PubChem CID25168576
Molecular FormulaC9H5F3N2O2S
Molecular Weight262.21 g/mol
Exact Mass262.00
IUPAC Name2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
SMILESCc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1
InChIInChI=1S/C9H5F3N2O2S/c1-4-13-8(16-14-4)6-3-2-5(17-6)7(15)9(10,11)12/h2-3H,1H3
InChIKeyPHNUPEDOQIENBU-UHFFFAOYSA-N
XLogP2.85
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.85
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-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone (CID 25168576) is 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone is Cc1noc(-c2ccc(C(=O)C(F)(F)F)s2)n1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
The InChIKey is PHNUPEDOQIENBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2S/c1-4-13-8(16-14-4)6-3-2-5(17-6)7(15)9(10,11)12/h2-3H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone has a molecular weight of 262.21 g/mol, XLogP of 2.85, 2 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-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 25168576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).