2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione

C15H14F3NO2 — CID 11702107

IUPAC2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)10-4-3-5-11(8-10)19-12(20)9-14(13(19)21)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2
InChIKeyKGWJXSLOORNGPW-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.53
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 11702107) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID11702107
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO2/c16-15(17,18)10-4-3-5-11(8-10)19-12(20)9-14(13(19)21)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2
InChIKeyKGWJXSLOORNGPW-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.53
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

N-(4-Methylphenyl)succinimide
CID 75335
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
(2S,6R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 11438217
(2S,6R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 44388963
Succinimide, 2-benzyl-N-phenyl-
CID 622117
2-Methylene-N-(m-tolyl)-succinimide
CID 99442
N-(O-Tolyl)succinimide
CID 4575629
2-(4-fluorophenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione
CID 650964
(2S,6R)-4-[3,5-bis(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 44389070
1-[4-Fluoro-3-(trifluoromethyl)phenyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 162538047
2-(3-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 652379

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 11702107) is 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is KGWJXSLOORNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-15(17,18)10-4-3-5-11(8-10)19-12(20)9-14(13(19)21)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[3-(trifluoromethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 297.28 g/mol, XLogP of 3.53, 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[4.4]nonane-1,3-dione is sourced from PubChem (CID 11702107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).