3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid

C9H4BrF3O2S2 — CID 15535101

IUPAC3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1sc2c(C(F)(F)F)c(C(=O)O)sc2c1Br
InChIInChI=1S/C9H4BrF3O2S2/c1-2-4(10)7-5(16-2)3(9(11,12)13)6(17-7)8(14)15/h1H3,(H,14,15)
InChIKeyFJFFDEFGMQPKCL-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.75
Rot. Bonds1

About 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid

3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid (PubChem CID 15535101) has the molecular formula C9H4BrF3O2S2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid
PubChem CID15535101
Molecular FormulaC9H4BrF3O2S2
Molecular Weight345.16 g/mol
Exact Mass343.88
IUPAC Name3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid
SMILESCc1sc2c(C(F)(F)F)c(C(=O)O)sc2c1Br
InChIInChI=1S/C9H4BrF3O2S2/c1-2-4(10)7-5(16-2)3(9(11,12)13)6(17-7)8(14)15/h1H3,(H,14,15)
InChIKeyFJFFDEFGMQPKCL-UHFFFAOYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid?
The IUPAC name of 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid (CID 15535101) is 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid.
What is the SMILES notation for 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid?
The canonical SMILES for 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid is Cc1sc2c(C(F)(F)F)c(C(=O)O)sc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid?
The InChIKey is FJFFDEFGMQPKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3O2S2/c1-2-4(10)7-5(16-2)3(9(11,12)13)6(17-7)8(14)15/h1H3,(H,14,15).
What are the key properties of 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid?
3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid has a molecular weight of 345.16 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-6-(trifluoromethyl)thieno[3,2-b]thiophene-5-carboxylic acid is sourced from PubChem (CID 15535101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).