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

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Related Compounds

4-(4-chloro-2-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107640300
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64959075
4-(2-chloro-4-iodophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 107604165
10-(2,4-difluorophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64957868
10-(4-chloro-2-iodophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 107640265
9-(2-chloro-5-methylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107640189
4-(4-chloro-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964846
9-(4-chlorophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961297
9-(3,4-dimethylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64958649
9-(3-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64961778
4-(3,4-dichlorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64961192
1-(4-fluoro-2-iodophenyl)azepan-2-one
CID 79765997

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).