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

C11H9FN2O3S — CID 15572753

IUPAC6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCS(=O)c3ccc(F)cc32)N1
InChIInChI=1S/C11H9FN2O3S/c12-6-1-2-8-7(5-6)11(3-4-18(8)17)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyBIFVPDUAJWWHRY-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.37
Rot. Bonds

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

6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 15572753) has the molecular formula C11H9FN2O3S and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID15572753
Molecular FormulaC11H9FN2O3S
Molecular Weight268.27 g/mol
Exact Mass268.03
IUPAC Name6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCS(=O)c3ccc(F)cc32)N1
InChIInChI=1S/C11H9FN2O3S/c12-6-1-2-8-7(5-6)11(3-4-18(8)17)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyBIFVPDUAJWWHRY-UHFFFAOYSA-N
XLogP0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 15572753) is 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCS(=O)c3ccc(F)cc32)N1.
What is the InChIKey of 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is BIFVPDUAJWWHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3S/c12-6-1-2-8-7(5-6)11(3-4-18(8)17)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-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 268.27 g/mol, XLogP of 0.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-oxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 15572753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).