5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione

C11H14F2N2O3 — CID 112601416

IUPAC5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(CC(F)F)C(=O)C1C1CCCC1
InChIInChI=1S/C11H14F2N2O3/c12-7(13)5-15-10(17)8(6-3-1-2-4-6)9(16)14-11(15)18/h6-8H,1-5H2,(H,14,16,18)
InChIKeySJIGKEUHHSOEOV-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.14
Rot. Bonds3

About 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione

5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 112601416) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
PubChem CID112601416
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(CC(F)F)C(=O)C1C1CCCC1
InChIInChI=1S/C11H14F2N2O3/c12-7(13)5-15-10(17)8(6-3-1-2-4-6)9(16)14-11(15)18/h6-8H,1-5H2,(H,14,16,18)
InChIKeySJIGKEUHHSOEOV-UHFFFAOYSA-N
XLogP1.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyl-1-(2-methyl-3-methylsulfanylpropyl)-1,3-diazinane-2,4,6-trione
CID 115948242
5-cyclopentyl-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115945681
1,5-dicyclopentyl-1,3-diazinane-2,4,6-trione
CID 112598446
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
5-cyclopentyl-1-(oxolan-3-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 115947978
5-cyclopentyl-1-hex-5-ynyl-1,3-diazinane-2,4,6-trione
CID 106211126
5-cyclopentyl-1-[(2-methylthiolan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948899
5-cyclopentyl-1-(2-methylcyclopentyl)-1,3-diazinane-2,4,6-trione
CID 115948196
5-cyclopentyl-1-[(3-methylthiophen-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 115948871
5-cyclopentyl-1-(4-methylcyclohexyl)-1,3-diazinane-2,4,6-trione
CID 104963571
5-cyclopentyl-1-(3,3-dimethylbutan-2-yl)-1,3-diazinane-2,4,6-trione
CID 104830815

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione (CID 112601416) is 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(CC(F)F)C(=O)C1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is SJIGKEUHHSOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c12-7(13)5-15-10(17)8(6-3-1-2-4-6)9(16)14-11(15)18/h6-8H,1-5H2,(H,14,16,18).
What are the key properties of 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione?
5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 260.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(2,2-difluoroethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112601416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).