8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C10H11F4N3O3 — CID 103732412

IUPAC8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C(F)(F)C(F)F)CC2)N1
InChIInChI=1S/C10H11F4N3O3/c11-5(12)10(13,14)7(19)17-3-1-9(2-4-17)6(18)15-8(20)16-9/h5H,1-4H2,(H2,15,16,18,20)
InChIKeyGJMGJUKQKQIRNS-UHFFFAOYSA-N
MW297.21 g/mol
LogP0.09
Rot. Bonds2

About 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 103732412) has the molecular formula C10H11F4N3O3 and a molecular weight of 297.21 g/mol. Its IUPAC name is 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID103732412
Molecular FormulaC10H11F4N3O3
Molecular Weight297.21 g/mol
Exact Mass297.07
IUPAC Name8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(C(=O)C(F)(F)C(F)F)CC2)N1
InChIInChI=1S/C10H11F4N3O3/c11-5(12)10(13,14)7(19)17-3-1-9(2-4-17)6(18)15-8(20)16-9/h5H,1-4H2,(H2,15,16,18,20)
InChIKeyGJMGJUKQKQIRNS-UHFFFAOYSA-N
XLogP0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 103732412) is 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(C(=O)C(F)(F)C(F)F)CC2)N1.
What is the InChIKey of 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is GJMGJUKQKQIRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N3O3/c11-5(12)10(13,14)7(19)17-3-1-9(2-4-17)6(18)15-8(20)16-9/h5H,1-4H2,(H2,15,16,18,20).
What are the key properties of 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 297.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2,3,3-tetrafluoropropanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 103732412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).