2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione

C10H7FN2O3 — CID 70609019

IUPAC2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CC=Cc3oc(F)cc32)N1
InChIInChI=1S/C10H7FN2O3/c11-7-4-5-6(16-7)2-1-3-10(5)8(14)12-9(15)13-10/h1-2,4H,3H2,(H2,12,13,14,15)
InChIKeyXUUFJNFVHLSXPV-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.87
Rot. Bonds

About 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione

2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione (PubChem CID 70609019) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione
PubChem CID70609019
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CC=Cc3oc(F)cc32)N1
InChIInChI=1S/C10H7FN2O3/c11-7-4-5-6(16-7)2-1-3-10(5)8(14)12-9(15)13-10/h1-2,4H,3H2,(H2,12,13,14,15)
InChIKeyXUUFJNFVHLSXPV-UHFFFAOYSA-N
XLogP0.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.87
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 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione (CID 70609019) is 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CC=Cc3oc(F)cc32)N1.
What is the InChIKey of 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is XUUFJNFVHLSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-7-4-5-6(16-7)2-1-3-10(5)8(14)12-9(15)13-10/h1-2,4H,3H2,(H2,12,13,14,15).
What are the key properties of 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione?
2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 222.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorospiro[5H-1-benzofuran-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 70609019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).