(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate

C12H9FN2O6 — CID 23165405

IUPAC(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate
SMILESO=C1NC(=O)C2(CC(OC(=O)O)Oc3ccc(F)cc32)N1
InChIInChI=1S/C12H9FN2O6/c13-5-1-2-7-6(3-5)12(9(16)14-10(17)15-12)4-8(20-7)21-11(18)19/h1-3,8H,4H2,(H,18,19)(H2,14,15,16,17)
InChIKeyLCRCHKFSXLPHTJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP0.66
Rot. Bonds1

About (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate

(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate (PubChem CID 23165405) has the molecular formula C12H9FN2O6 and a molecular weight of 296.21 g/mol. Its IUPAC name is (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate
PubChem CID23165405
Molecular FormulaC12H9FN2O6
Molecular Weight296.21 g/mol
Exact Mass296.04
IUPAC Name(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate
SMILESO=C1NC(=O)C2(CC(OC(=O)O)Oc3ccc(F)cc32)N1
InChIInChI=1S/C12H9FN2O6/c13-5-1-2-7-6(3-5)12(9(16)14-10(17)15-12)4-8(20-7)21-11(18)19/h1-3,8H,4H2,(H,18,19)(H2,14,15,16,17)
InChIKeyLCRCHKFSXLPHTJ-UHFFFAOYSA-N
XLogP0.66
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
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-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate?
The IUPAC name of (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate (CID 23165405) is (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate.
What is the SMILES notation for (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate?
The canonical SMILES for (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate is O=C1NC(=O)C2(CC(OC(=O)O)Oc3ccc(F)cc32)N1.
What is the InChIKey of (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate?
The InChIKey is LCRCHKFSXLPHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O6/c13-5-1-2-7-6(3-5)12(9(16)14-10(17)15-12)4-8(20-7)21-11(18)19/h1-3,8H,4H2,(H,18,19)(H2,14,15,16,17).
What are the key properties of (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate?
(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate has a molecular weight of 296.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate is sourced from PubChem (CID 23165405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).