2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

C16H16FNO3 — CID 17432173

IUPAC2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c17-12-5-3-11(4-6-12)13(19)10-18-14(20)9-16(15(18)21)7-1-2-8-16/h3-6H,1-2,7-10H2
InChIKeyOBTKMVMPVAJJCW-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.33
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17432173) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17432173
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO3/c17-12-5-3-11(4-6-12)13(19)10-18-14(20)9-16(15(18)21)7-1-2-8-16/h3-6H,1-2,7-10H2
InChIKeyOBTKMVMPVAJJCW-UHFFFAOYSA-N
XLogP2.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 17432173) is 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is OBTKMVMPVAJJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3/c17-12-5-3-11(4-6-12)13(19)10-18-14(20)9-16(15(18)21)7-1-2-8-16/h3-6H,1-2,7-10H2.
What are the key properties of 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 289.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17432173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).