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

C8H10ClF4N3O2 — CID 135241984

IUPAC6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2(CCNCC2(F)C(F)(F)F)N1
InChIInChI=1S/C8H9F4N3O2.ClH/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);1H
InChIKeyWURZQJXBYBMSAB-UHFFFAOYSA-N
MW291.63 g/mol
LogP0.25
Rot. Bonds

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

6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 135241984) has the molecular formula C8H10ClF4N3O2 and a molecular weight of 291.63 g/mol. Its IUPAC name is 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID135241984
Molecular FormulaC8H10ClF4N3O2
Molecular Weight291.63 g/mol
Exact Mass291.04
IUPAC Name6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C2(CCNCC2(F)C(F)(F)F)N1
InChIInChI=1S/C8H9F4N3O2.ClH/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);1H
InChIKeyWURZQJXBYBMSAB-UHFFFAOYSA-N
XLogP0.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.63
LogP ≤ 50.25
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;hydrochloride?
The IUPAC name of 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 135241984) is 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride is Cl.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;hydrochloride?
The InChIKey is WURZQJXBYBMSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O2.ClH/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);1H.
What are the key properties of 6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride?
6-fluoro-6-(trifluoromethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 291.63 g/mol, XLogP of 0.25, 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;hydrochloride is sourced from PubChem (CID 135241984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).