8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid

C10H9FO3 — CID 82076108

IUPAC8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CCOc2c(F)cccc21
InChIInChI=1S/C10H9FO3/c11-8-3-1-2-6-7(10(12)13)4-5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeyNGVSTYVIMDWOMA-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.78
Rot. Bonds1

About 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid

8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid (PubChem CID 82076108) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid
PubChem CID82076108
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CCOc2c(F)cccc21
InChIInChI=1S/C10H9FO3/c11-8-3-1-2-6-7(10(12)13)4-5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13)
InChIKeyNGVSTYVIMDWOMA-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid?
The IUPAC name of 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid (CID 82076108) is 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid.
What is the SMILES notation for 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid?
The canonical SMILES for 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid is O=C(O)C1CCOc2c(F)cccc21.
What is the InChIKey of 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid?
The InChIKey is NGVSTYVIMDWOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-8-3-1-2-6-7(10(12)13)4-5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13).
What are the key properties of 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid?
8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid has a molecular weight of 196.18 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 82076108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).