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

C15H9F3OS2 — CID 80738432

IUPAC1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1cc2sccc2s1
InChIInChI=1S/C15H9F3OS2/c16-15(17,18)10-3-1-9(2-4-10)7-11(19)13-8-14-12(21-13)5-6-20-14/h1-6,8H,7H2
InChIKeyXZXTZKANSPTMLP-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.41
Rot. Bonds3

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

1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 80738432) has the molecular formula C15H9F3OS2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID80738432
Molecular FormulaC15H9F3OS2
Molecular Weight326.36 g/mol
Exact Mass326.00
IUPAC Name1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)c1cc2sccc2s1
InChIInChI=1S/C15H9F3OS2/c16-15(17,18)10-3-1-9(2-4-10)7-11(19)13-8-14-12(21-13)5-6-20-14/h1-6,8H,7H2
InChIKeyXZXTZKANSPTMLP-UHFFFAOYSA-N
XLogP5.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745674
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114967032
2-(2,5-dimethylphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745092
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80738455
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114979871
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
2-(4-chlorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 63411309
1-[4-(aminomethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 116548236

Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone (CID 80738432) is 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)c1cc2sccc2s1.
What is the InChIKey of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is XZXTZKANSPTMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3OS2/c16-15(17,18)10-3-1-9(2-4-10)7-11(19)13-8-14-12(21-13)5-6-20-14/h1-6,8H,7H2.
What are the key properties of 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone?
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 326.36 g/mol, XLogP of 5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 80738432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).