6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid

C13H9FO3S — CID 127027976

IUPAC6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESCc1cc(F)c2c(c1)-c1sc(C(=O)O)cc1CO2
InChIInChI=1S/C13H9FO3S/c1-6-2-8-11(9(14)3-6)17-5-7-4-10(13(15)16)18-12(7)8/h2-4H,5H2,1H3,(H,15,16)
InChIKeyJIJRYLJXEJGCKT-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.45
Rot. Bonds1

About 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid

6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 127027976) has the molecular formula C13H9FO3S and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
PubChem CID127027976
Molecular FormulaC13H9FO3S
Molecular Weight264.28 g/mol
Exact Mass264.03
IUPAC Name6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESCc1cc(F)c2c(c1)-c1sc(C(=O)O)cc1CO2
InChIInChI=1S/C13H9FO3S/c1-6-2-8-11(9(14)3-6)17-5-7-4-10(13(15)16)18-12(7)8/h2-4H,5H2,1H3,(H,15,16)
InChIKeyJIJRYLJXEJGCKT-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid (CID 127027976) is 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid is Cc1cc(F)c2c(c1)-c1sc(C(=O)O)cc1CO2.
What is the InChIKey of 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is JIJRYLJXEJGCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FO3S/c1-6-2-8-11(9(14)3-6)17-5-7-4-10(13(15)16)18-12(7)8/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid?
6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 264.28 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 6-fluoro-8-methyl-4H-thieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 127027976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).