2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione

C16H16F3NO2 — CID 11673993

IUPAC2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)11-5-4-6-12(9-11)20-13(21)10-15(14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2
InChIKeyNYOSYOVSLSSNLM-UHFFFAOYSA-N
MW311.30 g/mol
LogP3.92
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione

2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 11673993) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
PubChem CID11673993
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H16F3NO2/c17-16(18,19)11-5-4-6-12(9-11)20-13(21)10-15(14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2
InChIKeyNYOSYOVSLSSNLM-UHFFFAOYSA-N
XLogP3.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-2-azaspiro[4.5]decane-1,3-dione
CID 43385974
2-(3-aminophenyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 43381801
3-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)benzaldehyde
CID 106913703
2-(3-ethynylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 60977285
3-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzonitrile
CID 43385996
4-[3-(trifluoromethyl)phenyl]-1-thia-4-azaspiro[4.5]decan-3-one
CID 755881
2-(3-hydroxy-4-methylphenyl)-2-azaspiro[4.6]undecane-1,3-dione
CID 64793674
4-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzene-1,2-dicarbonitrile
CID 107796089
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
2-chloro-5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)benzoic acid
CID 60860870
3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 18081601
ethene;2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione
CID 168917608

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione (CID 11673993) is 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is NYOSYOVSLSSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2/c17-16(18,19)11-5-4-6-12(9-11)20-13(21)10-15(14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione?
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 311.30 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 11673993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).