9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

C14H14FIN2O2 — CID 79772565

IUPAC9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(c2ccc(F)cc2I)C(=O)C2(CCCC2)N1
InChIInChI=1S/C14H14FIN2O2/c15-9-3-4-11(10(16)7-9)18-8-12(19)17-14(13(18)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19)
InChIKeyAVXVEVLJDVQEMX-UHFFFAOYSA-N
MW388.18 g/mol
LogP2.21
Rot. Bonds1

About 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione

9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 79772565) has the molecular formula C14H14FIN2O2 and a molecular weight of 388.18 g/mol. Its IUPAC name is 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID79772565
Molecular FormulaC14H14FIN2O2
Molecular Weight388.18 g/mol
Exact Mass388.01
IUPAC Name9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(c2ccc(F)cc2I)C(=O)C2(CCCC2)N1
InChIInChI=1S/C14H14FIN2O2/c15-9-3-4-11(10(16)7-9)18-8-12(19)17-14(13(18)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19)
InChIKeyAVXVEVLJDVQEMX-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione (CID 79772565) is 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CN(c2ccc(F)cc2I)C(=O)C2(CCCC2)N1.
What is the InChIKey of 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is AVXVEVLJDVQEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN2O2/c15-9-3-4-11(10(16)7-9)18-8-12(19)17-14(13(18)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19).
What are the key properties of 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione?
9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 388.18 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 79772565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).