6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

C11H9FN2O4S — CID 5221308

IUPAC6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCS(=O)(=O)c3ccc(F)cc32)N1
InChIInChI=1S/C11H9FN2O4S/c12-6-1-2-8-7(5-6)11(3-4-19(8,17)18)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyYTHRHFDCECODBU-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.04
Rot. Bonds

About 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione

6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 5221308) has the molecular formula C11H9FN2O4S and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID5221308
Molecular FormulaC11H9FN2O4S
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCS(=O)(=O)c3ccc(F)cc32)N1
InChIInChI=1S/C11H9FN2O4S/c12-6-1-2-8-7(5-6)11(3-4-19(8,17)18)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyYTHRHFDCECODBU-UHFFFAOYSA-N
XLogP0.04
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 5221308) is 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCS(=O)(=O)c3ccc(F)cc32)N1.
What is the InChIKey of 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is YTHRHFDCECODBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4S/c12-6-1-2-8-7(5-6)11(3-4-19(8,17)18)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 284.27 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 5221308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).