7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione

C13H12FNO3 — CID 171779138

IUPAC7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
SMILESO=C1OCCC12CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C13H12FNO3/c14-9-1-3-10(4-2-9)15-7-5-13(11(15)16)6-8-18-12(13)17/h1-4H,5-8H2
InChIKeyDUGKCUPJSIQHMF-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.50
Rot. Bonds1

About 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione

7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione (PubChem CID 171779138) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
PubChem CID171779138
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Name7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
SMILESO=C1OCCC12CCN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C13H12FNO3/c14-9-1-3-10(4-2-9)15-7-5-13(11(15)16)6-8-18-12(13)17/h1-4H,5-8H2
InChIKeyDUGKCUPJSIQHMF-UHFFFAOYSA-N
XLogP1.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-(4-chlorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione
CID 171779142
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
CID 134556753
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
CID 174592654
(3R)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988012
(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988014
2-[2-(4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]isoindole-1,3-dione
CID 122672767
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
2-(4-bromophenyl)-8-oxa-2-azaspiro[4.5]decan-1-one
CID 58468052
4-(4-fluorophenyl)-9-[(1-methylpiperidin-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 134807697
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
The IUPAC name of 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione (CID 171779138) is 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione.
What is the SMILES notation for 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
The canonical SMILES for 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione is O=C1OCCC12CCN(c1ccc(F)cc1)C2=O.
What is the InChIKey of 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
The InChIKey is DUGKCUPJSIQHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c14-9-1-3-10(4-2-9)15-7-5-13(11(15)16)6-8-18-12(13)17/h1-4H,5-8H2.
What are the key properties of 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione?
7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione has a molecular weight of 249.24 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-1,6-dione is sourced from PubChem (CID 171779138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).