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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 | C1COCCC1(C(F)(F)F)N.Cl |
|---|---|
| IUPAC Name | 4-(trifluoromethyl)oxan-4-amine;hydrochloride |
| InChIKey | OWTXHERLFKABLD-UHFFFAOYSA-N |
| INCHI | 1S/C6H10F3NO.ClH/c7-6(8,9)5(10)1-3-11-4-2-5;/h1-4,10H2;1H |
| Isomeric SMILES | C1COCCC1(C(F)(F)F)N.Cl |
| PubChem CID | 54595883 |
| Molecular Weight | 205.6 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Oxanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxanes |
| Alternative Parents | Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organofluorides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxane - Dialkyl ether - Ether - Oxacycle - Alkyl fluoride - Hydrocarbon derivative - Hydrochloride - Primary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms. |
| External Descriptors | Not available |
| Molecular Weight | 205.600 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 205.048 Da |
| Monoisotopic Mass | 205.048 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 139.000 |
| 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 | 2 |
