2D structurePubChem CID 53400950
Идентичност
2,2-Difluorocyclohexanamine
Не е посочено · C6H11F2N
01Идентичност
| Lazychem ID | LC-58284 |
|---|---|
| CAS RN | Не е посочено |
| PubChem CID | 53400950 |
| Molecular formula | C6H11F2N |
| Molecular weight | 135.15 g/mol |
| IUPAC name | 2,2-difluorocyclohexan-1-amine |
| InChIKey | KATJLSLKDKAWTG-UHFFFAOYSA-N |
02Структура и стереохимия
2D structurePubChem CID 53400950
The parsed structure contains 1 ring, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 1 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1CCC(C(C1)N)(F)F |
|---|---|
| InChI | Не е посочено |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Статус в Индия
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Имена и връзки
API и изходно лекарство
Не е посочено
Имена и връзки
06Източници
- S01PubChem CID 53400950
Structure and machine-readable chemical identifiers.