2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole

C9H3F3N2OS2 — CID 550467

IUPAC2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C9H3F3N2OS2/c10-9(11,12)8-14-13-7(15-8)6-3-5-4(17-6)1-2-16-5/h1-3H
InChIKeyYIMCDRWAOJGISC-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.03
Rot. Bonds1

About 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole

2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 550467) has the molecular formula C9H3F3N2OS2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID550467
Molecular FormulaC9H3F3N2OS2
Molecular Weight276.26 g/mol
Exact Mass275.96
IUPAC Name2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(-c2cc3sccc3s2)o1
InChIInChI=1S/C9H3F3N2OS2/c10-9(11,12)8-14-13-7(15-8)6-3-5-4(17-6)1-2-16-5/h1-3H
InChIKeyYIMCDRWAOJGISC-UHFFFAOYSA-N
XLogP4.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 550467) is 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(-c2cc3sccc3s2)o1.
What is the InChIKey of 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is YIMCDRWAOJGISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F3N2OS2/c10-9(11,12)8-14-13-7(15-8)6-3-5-4(17-6)1-2-16-5/h1-3H.
What are the key properties of 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 276.26 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[3,2-b]thiophen-5-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 550467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).