7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

C10H9F3N2O3 — CID 114158728

IUPAC7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9(3-4-9)15-6(17)8(1-2-8)5(16)14-7(15)18/h1-4H2,(H,14,16,18)
InChIKeyQLRWNUUHKKZQJW-UHFFFAOYSA-N
MW262.19 g/mol
LogP0.94
Rot. Bonds1

About 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione

7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (PubChem CID 114158728) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.

Molecular Properties

Compound Name7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
PubChem CID114158728
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
SMILESO=C1NC(=O)C2(CC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C10H9F3N2O3/c11-10(12,13)9(3-4-9)15-6(17)8(1-2-8)5(16)14-7(15)18/h1-4H2,(H,14,16,18)
InChIKeyQLRWNUUHKKZQJW-UHFFFAOYSA-N
XLogP0.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 50.94
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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Frequently Asked Questions

What is the IUPAC name of 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The IUPAC name of 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione (CID 114158728) is 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione.
What is the SMILES notation for 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The canonical SMILES for 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is O=C1NC(=O)C2(CC2)C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
The InChIKey is QLRWNUUHKKZQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c11-10(12,13)9(3-4-9)15-6(17)8(1-2-8)5(16)14-7(15)18/h1-4H2,(H,14,16,18).
What are the key properties of 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione?
7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione has a molecular weight of 262.19 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(trifluoromethyl)cyclopropyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione is sourced from PubChem (CID 114158728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).