8-fluoro-4-methyl-2H-chromene-3-carboxylic acid

C11H9FO3 — CID 84722572

IUPAC8-fluoro-4-methyl-2H-chromene-3-carboxylic acid
SMILESCC1=C(C(=O)O)COc2c(F)cccc21
InChIInChI=1S/C11H9FO3/c1-6-7-3-2-4-9(12)10(7)15-5-8(6)11(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyIADGKPDPLVWKQA-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.08
Rot. Bonds1

About 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid

8-fluoro-4-methyl-2H-chromene-3-carboxylic acid (PubChem CID 84722572) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-4-methyl-2H-chromene-3-carboxylic acid
PubChem CID84722572
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name8-fluoro-4-methyl-2H-chromene-3-carboxylic acid
SMILESCC1=C(C(=O)O)COc2c(F)cccc21
InChIInChI=1S/C11H9FO3/c1-6-7-3-2-4-9(12)10(7)15-5-8(6)11(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKeyIADGKPDPLVWKQA-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid?
The IUPAC name of 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid (CID 84722572) is 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid?
The canonical SMILES for 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid is CC1=C(C(=O)O)COc2c(F)cccc21.
What is the InChIKey of 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid?
The InChIKey is IADGKPDPLVWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-6-7-3-2-4-9(12)10(7)15-5-8(6)11(13)14/h2-4H,5H2,1H3,(H,13,14).
What are the key properties of 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid?
8-fluoro-4-methyl-2H-chromene-3-carboxylic acid has a molecular weight of 208.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methyl-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 84722572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).