7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

C11H9FN2O3 — CID 18354311

IUPAC7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCOc3cc(F)ccc32)N1
InChIInChI=1S/C11H9FN2O3/c12-6-1-2-7-8(5-6)17-4-3-11(7)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyJACHJSRYXFAULG-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.64
Rot. Bonds

About 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione

7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (PubChem CID 18354311) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
PubChem CID18354311
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC(=O)C2(CCOc3cc(F)ccc32)N1
InChIInChI=1S/C11H9FN2O3/c12-6-1-2-7-8(5-6)17-4-3-11(7)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)
InChIKeyJACHJSRYXFAULG-UHFFFAOYSA-N
XLogP0.64
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.64
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 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione (CID 18354311) is 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is O=C1NC(=O)C2(CCOc3cc(F)ccc32)N1.
What is the InChIKey of 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
The InChIKey is JACHJSRYXFAULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-6-1-2-7-8(5-6)17-4-3-11(7)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16).
What are the key properties of 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione?
7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione has a molecular weight of 236.20 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 18354311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).