≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)F)C(F)(F)F)C |
|---|---|
| IUPAC Name | 3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione |
| InChIKey | BTGSGTWRNQCEQY-UHFFFAOYSA-N |
| INCHI | 1S/C12H10F4N2O2/c1-11(2)9(19)18(10(20)17-11)6-3-4-8(13)7(5-6)12(14,15)16/h3-5H,1-2H3,(H,17,20) |
| Isomeric SMILES | CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)F)C(F)(F)F)C |
| Alternate CAS | 70842-04-5 |
| PubChem CID | 129851 |
| MeSH Entry Terms | 5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-3-tolyl)hydantoin;5,5-dimethyl-3-(alpha,alpha,alpha,4-tetrafluoro-m-tolyl)hydantoin;DMTFTH |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolidines |
| Subclass | Imidazolidines |
| Intermediate Tree Nodes | Imidazolidinones - Imidazolidinediones - Hydantoins |
| Direct Parent | Phenylhydantoins |
| Alternative Parents | Phenylimidazolidines Trifluoromethylbenzenes Alpha amino acids and derivatives N-acyl ureas Fluorobenzenes Aryl fluorides Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 3-phenylhydantoin - Phenylimidazolidine - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Ureide - N-acyl urea - Halobenzene - Fluorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylhydantoins. These are heterocyclic aromatic compounds containing an imiazolidinedione moiety substituted by a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 290.210 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Exact Mass | 290.068 Da |
| Monoisotopic Mass | 290.068 Da |
| Topological Polar Surface Area | 49.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 436.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
