3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C11H16F3N3O2 — CID 71928182

IUPAC3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1C(=O)NC2(CCN(CC(F)(F)F)C2)C1=O
InChIInChI=1S/C11H16F3N3O2/c1-7(2)17-8(18)10(15-9(17)19)3-4-16(5-10)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,19)
InChIKeyUUUJOJRUKUUBFL-UHFFFAOYSA-N
MW279.26 g/mol
LogP0.95
Rot. Bonds2

About 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 71928182) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID71928182
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1C(=O)NC2(CCN(CC(F)(F)F)C2)C1=O
InChIInChI=1S/C11H16F3N3O2/c1-7(2)17-8(18)10(15-9(17)19)3-4-16(5-10)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,19)
InChIKeyUUUJOJRUKUUBFL-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 71928182) is 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C)N1C(=O)NC2(CCN(CC(F)(F)F)C2)C1=O.
What is the InChIKey of 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is UUUJOJRUKUUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7(2)17-8(18)10(15-9(17)19)3-4-16(5-10)6-11(12,13)14/h7H,3-6H2,1-2H3,(H,15,19).
What are the key properties of 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 279.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-(2,2,2-trifluoroethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71928182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).