methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate

C14H12FNO4 — CID 12025202

IUPACmethyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(F)CC12CC(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C14H12FNO4/c1-20-12(19)14(15)8-13(14)7-10(17)16(11(13)18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyYIYNWJXSLGHPAZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.22
Rot. Bonds2

About methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate

methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate (PubChem CID 12025202) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate
PubChem CID12025202
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Namemethyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate
SMILESCOC(=O)C1(F)CC12CC(=O)N(c1ccccc1)C2=O
InChIInChI=1S/C14H12FNO4/c1-20-12(19)14(15)8-13(14)7-10(17)16(11(13)18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyYIYNWJXSLGHPAZ-UHFFFAOYSA-N
XLogP1.22
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate?
The IUPAC name of methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate (CID 12025202) is methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate.
What is the SMILES notation for methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate?
The canonical SMILES for methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate is COC(=O)C1(F)CC12CC(=O)N(c1ccccc1)C2=O.
What is the InChIKey of methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate?
The InChIKey is YIYNWJXSLGHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-20-12(19)14(15)8-13(14)7-10(17)16(11(13)18)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate?
methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate has a molecular weight of 277.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4,6-dioxo-5-phenyl-5-azaspiro[2.4]heptane-2-carboxylate is sourced from PubChem (CID 12025202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).