8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione

C13H13FN2O2 — CID 113311484

IUPAC8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione
SMILESO=C1NCC2(CCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c14-9-2-4-10(5-3-9)16-11(17)13(6-1-7-13)8-15-12(16)18/h2-5H,1,6-8H2,(H,15,18)
InChIKeyBFVBGVLMIKCWSC-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.05
Rot. Bonds1

About 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione

8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione (PubChem CID 113311484) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione.

Molecular Properties

Compound Name8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione
PubChem CID113311484
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione
SMILESO=C1NCC2(CCC2)C(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2/c14-9-2-4-10(5-3-9)16-11(17)13(6-1-7-13)8-15-12(16)18/h2-5H,1,6-8H2,(H,15,18)
InChIKeyBFVBGVLMIKCWSC-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434500
8-(4-fluorophenyl)-6,8-diazaspiro[3.6]decane-7,9-dione
CID 81167437
9-(2-methoxyphenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434508
9-(2,5-dichlorophenyl)-7,9-diazaspiro[4.5]decane-8,10-dione
CID 107653849
3-(4-fluorophenyl)-1,3-diazepane-2,4-dione
CID 80541122
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
5,5-dimethyl-3-(4-nitrophenyl)-1,3-diazinane-2,4-dione
CID 115429011
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
2-tert-butyl-7-(4-fluorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 166285790
(1R,2S,6S,7S)-4-(4-fluorophenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 6552149
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2001470
9-propan-2-yl-7,9-diazaspiro[4.5]decane-8,10-dione
CID 115434502

Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione?
The IUPAC name of 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione (CID 113311484) is 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione.
What is the SMILES notation for 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione?
The canonical SMILES for 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione is O=C1NCC2(CCC2)C(=O)N1c1ccc(F)cc1.
What is the InChIKey of 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione?
The InChIKey is BFVBGVLMIKCWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-9-2-4-10(5-3-9)16-11(17)13(6-1-7-13)8-15-12(16)18/h2-5H,1,6-8H2,(H,15,18).
What are the key properties of 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione?
8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione has a molecular weight of 248.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-6,8-diazaspiro[3.5]nonane-7,9-dione is sourced from PubChem (CID 113311484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).