6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one

C₁₄H₁₆FN₃O₂ — CID 135412750

About 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one

6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (PubChem CID 135412750) has the molecular formula C₁₄H₁₆FN₃O₂ and a molecular weight of 277.30 g/mol. Its IUPAC name is 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.

Molecular Properties

• Compound Name: 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
• PubChem CID: 135412750
• Molecular Formula: C₁₄H₁₆FN₃O₂
• Molecular Weight: 277.30 g/mol
• Exact Mass: 277.12
• IUPAC Name: 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one
• SMILES: C/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(F)cc32)N1
• InChI: InChI=1S/C14H16FN3O2/c1-13(2)7-14(11(19)17-12(16-3)18-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
• InChIKey: UUKCTNPZHJLYMC-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 62.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.30
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?

The IUPAC name of 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one (CID 135412750) is 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one.

What is the SMILES notation for 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?

The canonical SMILES for 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is C/N=C1\NC(=O)C2(CC(C)(C)Oc3ccc(F)cc32)N1.

What is the InChIKey of 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?

The InChIKey is UUKCTNPZHJLYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-13(2)7-14(11(19)17-12(16-3)18-14)9-6-8(15)4-5-10(9)20-13/h4-6H,7H2,1-3H3,(H2,16,17,18,19).

What are the key properties of 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one?

6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one has a molecular weight of 277.30 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2,2-dimethyl-2'-methyliminospiro[3H-chromene-4,5'-imidazolidine]-4'-one is sourced from PubChem (CID 135412750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135412750 — identifiers, structure, computed properties (public domain)

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