2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid

C9H3F3O4S2 — CID 131986525

IUPAC2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid
SMILESO=C(O)c1sc(C(=O)O)c2sc(C(F)(F)F)cc12
InChIInChI=1S/C9H3F3O4S2/c10-9(11,12)3-1-2-4(17-3)6(8(15)16)18-5(2)7(13)14/h1H,(H,13,14)(H,15,16)
InChIKeyUYRMNUANKKVPDI-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.38
Rot. Bonds2

About 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid

2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid (PubChem CID 131986525) has the molecular formula C9H3F3O4S2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid
PubChem CID131986525
Molecular FormulaC9H3F3O4S2
Molecular Weight296.25 g/mol
Exact Mass295.94
IUPAC Name2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid
SMILESO=C(O)c1sc(C(=O)O)c2sc(C(F)(F)F)cc12
InChIInChI=1S/C9H3F3O4S2/c10-9(11,12)3-1-2-4(17-3)6(8(15)16)18-5(2)7(13)14/h1H,(H,13,14)(H,15,16)
InChIKeyUYRMNUANKKVPDI-UHFFFAOYSA-N
XLogP3.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2778763
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CID 16103482
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CID 53258899
CID 53258899
CID 2739591
CID 2739591
CID 21766910
CID 21766910
CID 901435
CID 901435
CID 901441
CID 901441
CID 68344736
CID 68344736
CID 102076934
CID 102076934
CID 901434
CID 901434
CID 288494
CID 288494

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid?
The IUPAC name of 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid (CID 131986525) is 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid is O=C(O)c1sc(C(=O)O)c2sc(C(F)(F)F)cc12.
What is the InChIKey of 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid?
The InChIKey is UYRMNUANKKVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F3O4S2/c10-9(11,12)3-1-2-4(17-3)6(8(15)16)18-5(2)7(13)14/h1H,(H,13,14)(H,15,16).
What are the key properties of 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid?
2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid has a molecular weight of 296.25 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)thieno[2,3-c]thiophene-4,6-dicarboxylic acid is sourced from PubChem (CID 131986525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).