2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

C14H8BrFOS2 — CID 114967032

IUPAC2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1cc2sccc2s1
InChIInChI=1S/C14H8BrFOS2/c15-9-1-2-10(16)8(5-9)6-11(17)13-7-14-12(19-13)3-4-18-14/h1-5,7H,6H2
InChIKeyLFHKKNXLVZSQLL-UHFFFAOYSA-N
MW355.25 g/mol
LogP5.29
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone

2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 114967032) has the molecular formula C14H8BrFOS2 and a molecular weight of 355.25 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID114967032
Molecular FormulaC14H8BrFOS2
Molecular Weight355.25 g/mol
Exact Mass353.92
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(Cc1cc(Br)ccc1F)c1cc2sccc2s1
InChIInChI=1S/C14H8BrFOS2/c15-9-1-2-10(16)8(5-9)6-11(17)13-7-14-12(19-13)3-4-18-14/h1-5,7H,6H2
InChIKeyLFHKKNXLVZSQLL-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.25
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114964004
2-(4-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745581
2-bromo-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80738942
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80738432
2-(5-bromo-2-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanone
CID 114967129
1-(3-bromo-5-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanone
CID 66423629
N-[(4-bromophenyl)methyl]-N-methylthieno[3,2-b]thiophene-5-carboxamide
CID 112732660
2-(5-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanone
CID 106690925
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
2-(5-bromo-2-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105088099

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 114967032) is 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is O=C(Cc1cc(Br)ccc1F)c1cc2sccc2s1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is LFHKKNXLVZSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFOS2/c15-9-1-2-10(16)8(5-9)6-11(17)13-7-14-12(19-13)3-4-18-14/h1-5,7H,6H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 355.25 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 114967032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).