5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid

C7H2ClFO2S2 — CID 155445673

IUPAC5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2sc(Cl)c(F)c2s1
InChIInChI=1S/C7H2ClFO2S2/c8-6-4(9)5-2(13-6)1-3(12-5)7(10)11/h1H,(H,10,11)
InChIKeyTWKAUHDSJRKSFQ-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.45
Rot. Bonds1

About 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid

5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid (PubChem CID 155445673) has the molecular formula C7H2ClFO2S2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid
PubChem CID155445673
Molecular FormulaC7H2ClFO2S2
Molecular Weight236.68 g/mol
Exact Mass235.92
IUPAC Name5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2sc(Cl)c(F)c2s1
InChIInChI=1S/C7H2ClFO2S2/c8-6-4(9)5-2(13-6)1-3(12-5)7(10)11/h1H,(H,10,11)
InChIKeyTWKAUHDSJRKSFQ-UHFFFAOYSA-N
XLogP3.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid?
The IUPAC name of 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid (CID 155445673) is 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid?
The canonical SMILES for 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid is O=C(O)c1cc2sc(Cl)c(F)c2s1.
What is the InChIKey of 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid?
The InChIKey is TWKAUHDSJRKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClFO2S2/c8-6-4(9)5-2(13-6)1-3(12-5)7(10)11/h1H,(H,10,11).
What are the key properties of 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid?
5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid has a molecular weight of 236.68 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluorothieno[3,2-b]thiophene-2-carboxylic acid is sourced from PubChem (CID 155445673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).