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

C19H16F2N2O5S — CID 42888553

IUPAC6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C19H16F2N2O5S/c20-12-1-4-14(5-2-12)28-9-8-23-17(24)19(22-18(23)25)7-10-29(26,27)16-6-3-13(21)11-15(16)19/h1-6,11H,7-10H2,(H,22,25)
InChIKeyQFAAKVJUWBWDCJ-UHFFFAOYSA-N
MW422.41 g/mol
LogP1.97
Rot. Bonds4

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

6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 42888553) has the molecular formula C19H16F2N2O5S and a molecular weight of 422.41 g/mol. Its IUPAC name is 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID42888553
Molecular FormulaC19H16F2N2O5S
Molecular Weight422.41 g/mol
Exact Mass422.07
IUPAC Name6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CCOc1ccc(F)cc1
InChIInChI=1S/C19H16F2N2O5S/c20-12-1-4-14(5-2-12)28-9-8-23-17(24)19(22-18(23)25)7-10-29(26,27)16-6-3-13(21)11-15(16)19/h1-6,11H,7-10H2,(H,22,25)
InChIKeyQFAAKVJUWBWDCJ-UHFFFAOYSA-N
XLogP1.97
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione (CID 42888553) is 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCS(=O)(=O)c3ccc(F)cc32)C(=O)N1CCOc1ccc(F)cc1.
What is the InChIKey of 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is QFAAKVJUWBWDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O5S/c20-12-1-4-14(5-2-12)28-9-8-23-17(24)19(22-18(23)25)7-10-29(26,27)16-6-3-13(21)11-15(16)19/h1-6,11H,7-10H2,(H,22,25).
What are the key properties of 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione?
6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 422.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3'-[2-(4-fluorophenoxy)ethyl]-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 42888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).