6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C8H9F4N3O2 — CID 135240822

IUPAC6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2(F)C(F)(F)F)N1
InChIInChI=1S/C8H9F4N3O2/c9-7(8(10,11)12)3-13-2-1-6(7)4(16)14-5(17)15-6/h13H,1-3H2,(H2,14,15,16,17)
InChIKeyHDUAFYQCDUKQOL-UHFFFAOYSA-N
MW255.17 g/mol
LogP-0.17
Rot. Bonds

About 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135240822) has the molecular formula C8H9F4N3O2 and a molecular weight of 255.17 g/mol. Its IUPAC name is 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135240822
Molecular FormulaC8H9F4N3O2
Molecular Weight255.17 g/mol
Exact Mass255.06
IUPAC Name6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2(F)C(F)(F)F)N1
InChIInChI=1S/C8H9F4N3O2/c9-7(8(10,11)12)3-13-2-1-6(7)4(16)14-5(17)15-6/h13H,1-3H2,(H2,14,15,16,17)
InChIKeyHDUAFYQCDUKQOL-UHFFFAOYSA-N
XLogP-0.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
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 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135240822) is 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCNCC2(F)C(F)(F)F)N1.
What is the InChIKey of 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HDUAFYQCDUKQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O2/c9-7(8(10,11)12)3-13-2-1-6(7)4(16)14-5(17)15-6/h13H,1-3H2,(H2,14,15,16,17).
What are the key properties of 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 255.17 g/mol, XLogP of -0.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135240822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).