(5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C8H11F2N3O2 — CID 135257213

IUPAC(5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CC[C@@]2(NC(=O)NC2=O)C(F)(F)C1
InChIInChI=1S/C8H11F2N3O2/c1-13-3-2-7(8(9,10)4-13)5(14)11-6(15)12-7/h2-4H2,1H3,(H2,11,12,14,15)/t7-/m0/s1
InChIKeyLHFWXKLLWNCDIH-ZETCQYMHSA-N
MW219.19 g/mol
LogP-0.46
Rot. Bonds

About (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

(5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 135257213) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID135257213
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name(5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1CC[C@@]2(NC(=O)NC2=O)C(F)(F)C1
InChIInChI=1S/C8H11F2N3O2/c1-13-3-2-7(8(9,10)4-13)5(14)11-6(15)12-7/h2-4H2,1H3,(H2,11,12,14,15)/t7-/m0/s1
InChIKeyLHFWXKLLWNCDIH-ZETCQYMHSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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 (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 135257213) is (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1CC[C@@]2(NC(=O)NC2=O)C(F)(F)C1.
What is the InChIKey of (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LHFWXKLLWNCDIH-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-13-3-2-7(8(9,10)4-13)5(14)11-6(15)12-7/h2-4H2,1H3,(H2,11,12,14,15)/t7-/m0/s1.
What are the key properties of (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
(5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 219.19 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 135257213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).