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

C14H8F2OS2 — CID 114964004

IUPAC2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(Cc1cc(F)ccc1F)c1cc2sccc2s1
InChIInChI=1S/C14H8F2OS2/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
InChIKeyJHODZBVJJZBCEO-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.67
Rot. Bonds3

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

2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (PubChem CID 114964004) has the molecular formula C14H8F2OS2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
PubChem CID114964004
Molecular FormulaC14H8F2OS2
Molecular Weight294.35 g/mol
Exact Mass294.00
IUPAC Name2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
SMILESO=C(Cc1cc(F)ccc1F)c1cc2sccc2s1
InChIInChI=1S/C14H8F2OS2/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
InChIKeyJHODZBVJJZBCEO-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114967032
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
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]ethanone
CID 80738432
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanone
CID 115782915
2-(2,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105088256
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-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 80745674
2-(2,5-difluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115809913
2-methyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-one
CID 115787961

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone (CID 114964004) is 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is O=C(Cc1cc(F)ccc1F)c1cc2sccc2s1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
The InChIKey is JHODZBVJJZBCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2OS2/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-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone?
2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone has a molecular weight of 294.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanone is sourced from PubChem (CID 114964004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).