9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid

C12H7FO3S — CID 125495946

IUPAC9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1c(F)cccc1OC2
InChIInChI=1S/C12H7FO3S/c13-7-2-1-3-8-10(7)11-6(5-16-8)4-9(17-11)12(14)15/h1-4H,5H2,(H,14,15)
InChIKeyASHABENEVNNKEH-UHFFFAOYSA-N
MW250.25 g/mol
LogP3.14
Rot. Bonds1

About 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid

9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid (PubChem CID 125495946) has the molecular formula C12H7FO3S and a molecular weight of 250.25 g/mol. Its IUPAC name is 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid.

Molecular Properties

Compound Name9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
PubChem CID125495946
Molecular FormulaC12H7FO3S
Molecular Weight250.25 g/mol
Exact Mass250.01
IUPAC Name9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)-c1c(F)cccc1OC2
InChIInChI=1S/C12H7FO3S/c13-7-2-1-3-8-10(7)11-6(5-16-8)4-9(17-11)12(14)15/h1-4H,5H2,(H,14,15)
InChIKeyASHABENEVNNKEH-UHFFFAOYSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The IUPAC name of 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid (CID 125495946) is 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid.
What is the SMILES notation for 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The canonical SMILES for 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid is O=C(O)c1cc2c(s1)-c1c(F)cccc1OC2.
What is the InChIKey of 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
The InChIKey is ASHABENEVNNKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FO3S/c13-7-2-1-3-8-10(7)11-6(5-16-8)4-9(17-11)12(14)15/h1-4H,5H2,(H,14,15).
What are the key properties of 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid?
9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4H-thieno[3,2-c]chromene-2-carboxylic acid is sourced from PubChem (CID 125495946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).