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

C8H10F3N3O2 — CID 135241091

IUPAC6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2C(F)(F)F)N1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-3-12-2-1-7(4)5(15)13-6(16)14-7/h4,12H,1-3H2,(H2,13,14,15,16)
InChIKeyIXNIHJUMDNAHHX-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.26
Rot. Bonds

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

6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135241091) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135241091
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCNCC2C(F)(F)F)N1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)4-3-12-2-1-7(4)5(15)13-6(16)14-7/h4,12H,1-3H2,(H2,13,14,15,16)
InChIKeyIXNIHJUMDNAHHX-UHFFFAOYSA-N
XLogP-0.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.26
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-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135241091) is 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCNCC2C(F)(F)F)N1.
What is the InChIKey of 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IXNIHJUMDNAHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)4-3-12-2-1-7(4)5(15)13-6(16)14-7/h4,12H,1-3H2,(H2,13,14,15,16).
What are the key properties of 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 237.18 g/mol, XLogP of -0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135241091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).