4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid

C10H10FNO2S — CID 83911303

IUPAC4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCSc2c(F)cccc21
InChIInChI=1S/C10H10FNO2S/c11-7-3-1-2-6-8(7)15-5-4-10(6,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)
InChIKeyARUUIMVTHLHAJU-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.56
Rot. Bonds1

About 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid

4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid (PubChem CID 83911303) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
PubChem CID83911303
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCSc2c(F)cccc21
InChIInChI=1S/C10H10FNO2S/c11-7-3-1-2-6-8(7)15-5-4-10(6,12)9(13)14/h1-3H,4-5,12H2,(H,13,14)
InChIKeyARUUIMVTHLHAJU-UHFFFAOYSA-N
XLogP1.56
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
The IUPAC name of 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid (CID 83911303) is 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid.
What is the SMILES notation for 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
The canonical SMILES for 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid is NC1(C(=O)O)CCSc2c(F)cccc21.
What is the InChIKey of 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
The InChIKey is ARUUIMVTHLHAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-7-3-1-2-6-8(7)15-5-4-10(6,12)9(13)14/h1-3H,4-5,12H2,(H,13,14).
What are the key properties of 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid is sourced from PubChem (CID 83911303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).