4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

C13H15F3N2O3 — CID 106211152

IUPAC4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)12(6-7-12)18-9(20)11(4-2-1-3-5-11)8(19)17-10(18)21/h1-7H2,(H,17,19,21)
InChIKeyVQAWAPWKBFUQDS-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.11
Rot. Bonds1

About 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione

4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (PubChem CID 106211152) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.

Molecular Properties

Compound Name4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
PubChem CID106211152
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione
SMILESO=C1NC(=O)C2(CCCCC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)12(6-7-12)18-9(20)11(4-2-1-3-5-11)8(19)17-10(18)21/h1-7H2,(H,17,19,21)
InChIKeyVQAWAPWKBFUQDS-UHFFFAOYSA-N
XLogP2.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 114158728
1-[1-(trifluoromethyl)cyclopropyl]pyrrole-2,5-dione
CID 106210532
4-propan-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598786
3-[1-(trifluoromethyl)cyclopropyl]imidazolidine-2,4-dione
CID 106211085
2-(1,3,5-trioxo-2,4-diazaspiro[5.5]undecan-4-yl)propanamide
CID 112599394
4-prop-2-ynyl-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112599528
4-(2,2-dimethylcyclopropyl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 112600000
9-(3-methylbutan-2-yl)-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 112598654
3-methyl-4-[1-(trifluoromethyl)cyclopropyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106210939
4-but-3-yn-2-yl-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 114421001
4-(2-methoxyethyl)-2,4-diazaspiro[5.6]dodecane-1,3,5-trione
CID 112598636
2-(1,3,5-trioxo-2,4-diazaspiro[5.6]dodecan-4-yl)ethylurea
CID 115949105

Frequently Asked Questions

What is the IUPAC name of 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The IUPAC name of 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione (CID 106211152) is 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione.
What is the SMILES notation for 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The canonical SMILES for 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is O=C1NC(=O)C2(CCCCC2)C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
The InChIKey is VQAWAPWKBFUQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)12(6-7-12)18-9(20)11(4-2-1-3-5-11)8(19)17-10(18)21/h1-7H2,(H,17,19,21).
What are the key properties of 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione?
4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione has a molecular weight of 304.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(trifluoromethyl)cyclopropyl]-2,4-diazaspiro[5.5]undecane-1,3,5-trione is sourced from PubChem (CID 106211152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).