1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

C12H10F2N2O3 — CID 112598953

IUPAC1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)C(=O)NC(=O)N(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C12H10F2N2O3/c1-12(2)9(17)15-11(19)16(10(12)18)8-5-6(13)3-4-7(8)14/h3-5H,1-2H3,(H,15,17,19)
InChIKeyAHRXNDULVRYWJP-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.57
Rot. Bonds1

About 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione

1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 112598953) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID112598953
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC1(C)C(=O)NC(=O)N(c2cc(F)ccc2F)C1=O
InChIInChI=1S/C12H10F2N2O3/c1-12(2)9(17)15-11(19)16(10(12)18)8-5-6(13)3-4-7(8)14/h3-5H,1-2H3,(H,15,17,19)
InChIKeyAHRXNDULVRYWJP-UHFFFAOYSA-N
XLogP1.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.57
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

1-(2-chloro-5-fluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 107531960
1-(4-fluoro-3-methylphenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112600474
3-(2,4-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
CID 61265928
1-[(2,4-difluorophenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115947831
7-(5-chloro-2-fluorophenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112599284
1-(2,5-difluorophenyl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 47015641
3-(2,5-difluorophenyl)imidazolidine-2,4-dione
CID 14650513
1-(3-chlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112598230
1-(2-bromo-4-fluorophenyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115946553
8-(5-bromo-2-fluorophenyl)-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 115946867
1-(2,3-dichlorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 112599049
3-(2,5-difluorophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 3739005

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione (CID 112598953) is 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is CC1(C)C(=O)NC(=O)N(c2cc(F)ccc2F)C1=O.
What is the InChIKey of 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AHRXNDULVRYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-12(2)9(17)15-11(19)16(10(12)18)8-5-6(13)3-4-7(8)14/h3-5H,1-2H3,(H,15,17,19).
What are the key properties of 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione?
1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 268.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-5,5-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 112598953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).