4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid

C10H10FNO2S — CID 83911304

IUPAC4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCSc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2S/c11-6-1-2-7-8(5-6)15-4-3-10(7,12)9(13)14/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyZPGKYCRKDSZQBM-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.56
Rot. Bonds1

About 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid

4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid (PubChem CID 83911304) has the molecular formula C10H10FNO2S and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
PubChem CID83911304
Molecular FormulaC10H10FNO2S
Molecular Weight227.26 g/mol
Exact Mass227.04
IUPAC Name4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
SMILESNC1(C(=O)O)CCSc2cc(F)ccc21
InChIInChI=1S/C10H10FNO2S/c11-6-1-2-7-8(5-6)15-4-3-10(7,12)9(13)14/h1-2,5H,3-4,12H2,(H,13,14)
InChIKeyZPGKYCRKDSZQBM-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

Analyze 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
The IUPAC name of 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid (CID 83911304) is 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid.
What is the SMILES notation for 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
The canonical SMILES for 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid is NC1(C(=O)O)CCSc2cc(F)ccc21.
What is the InChIKey of 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
The InChIKey is ZPGKYCRKDSZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2S/c11-6-1-2-7-8(5-6)15-4-3-10(7,12)9(13)14/h1-2,5H,3-4,12H2,(H,13,14).
What are the key properties of 4-amino-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid?
4-amino-7-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-7-fluoro-2,3-dihydrothiochromene-4-carboxylic acid is sourced from PubChem (CID 83911304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).