1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H14FN3O2 — CID 83660511

IUPAC1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2)N1c1ccccc1F
InChIInChI=1S/C13H14FN3O2/c14-9-3-1-2-4-10(9)17-12(19)16-11(18)13(17)5-7-15-8-6-13/h1-4,15H,5-8H2,(H,16,18,19)
InChIKeyLWOPOEMJYVACAC-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.00
Rot. Bonds1

About 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 83660511) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID83660511
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2)N1c1ccccc1F
InChIInChI=1S/C13H14FN3O2/c14-9-3-1-2-4-10(9)17-12(19)16-11(18)13(17)5-7-15-8-6-13/h1-4,15H,5-8H2,(H,16,18,19)
InChIKeyLWOPOEMJYVACAC-UHFFFAOYSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-oxa-1,7-diazaspiro[4.4]nonan-2-one
CID 84798050
4-(2-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 115067499
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540512
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
7-fluorospiro[1H-indole-3,4'-piperidine]-2-one
CID 84623509
1-(4-phenylpiperidin-4-yl)imidazolidin-2-one
CID 68799978
2-(2-fluorophenyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 117003000
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
1-(2-fluorophenyl)pyrrolidin-3-one
CID 23052790
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119785319
1-(2,4-difluorophenyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
CID 118209138

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 83660511) is 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCNCC2)N1c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LWOPOEMJYVACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-3-1-2-4-10(9)17-12(19)16-11(18)13(17)5-7-15-8-6-13/h1-4,15H,5-8H2,(H,16,18,19).
What are the key properties of 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 263.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 83660511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).