6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane

C10H17F2N3O2 — CID 142404444

IUPAC6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
SMILESCC.CN1CCC2(NC(=O)NC2=O)C(F)(F)C1
InChIInChI=1S/C8H11F2N3O2.C2H6/c1-13-3-2-7(8(9,10)4-13)5(14)11-6(15)12-7;1-2/h2-4H2,1H3,(H2,11,12,14,15);1-2H3
InChIKeyPSWPBYJWHWWNFM-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.56
Rot. Bonds

About 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane

6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane (PubChem CID 142404444) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane.

Molecular Properties

Compound Name6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
PubChem CID142404444
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane
SMILESCC.CN1CCC2(NC(=O)NC2=O)C(F)(F)C1
InChIInChI=1S/C8H11F2N3O2.C2H6/c1-13-3-2-7(8(9,10)4-13)5(14)11-6(15)12-7;1-2/h2-4H2,1H3,(H2,11,12,14,15);1-2H3
InChIKeyPSWPBYJWHWWNFM-UHFFFAOYSA-N
XLogP0.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
1,3,8-Triazaspiro[4.5]decane-2,4-dione
CID 120989
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
5,5-Dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 24982466
(5R)-6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 5389126
1-Methyl-1,3,8-triazaspiro(4.5)decan-4-one hydrochloride
CID 74889888
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 153517448
3-Ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759421
5,5-Dimethyl-3-piperidin-1-ylmethyl-imidazolidine-2,4-dione
CID 694448
8-Acetyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 30545070
8-Isobutyryl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109420

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
The IUPAC name of 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane (CID 142404444) is 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane.
What is the SMILES notation for 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
The canonical SMILES for 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane is CC.CN1CCC2(NC(=O)NC2=O)C(F)(F)C1.
What is the InChIKey of 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
The InChIKey is PSWPBYJWHWWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2.C2H6/c1-13-3-2-7(8(9,10)4-13)5(14)11-6(15)12-7;1-2/h2-4H2,1H3,(H2,11,12,14,15);1-2H3.
What are the key properties of 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane?
6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane has a molecular weight of 249.26 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;ethane is sourced from PubChem (CID 142404444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).