2D structurePubChem CID 53401070
Identitāte
3,3-Difluorocyclohexanamine
Nav norādīts · C6H11F2N
01Identitāte
| Lazychem ID | LC-58275 |
|---|---|
| CAS RN | Nav norādīts |
| PubChem CID | 53401070 |
| Molecular formula | C6H11F2N |
| Molecular weight | 135.15 g/mol |
| IUPAC name | 3,3-difluorocyclohexan-1-amine |
| InChIKey | VAQNIUDWPOLHBT-UHFFFAOYSA-N |
02Struktūra un stereoķīmija
2D structurePubChem CID 53401070
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 | C1CC(CC(C1)(F)F)N |
|---|---|
| InChI | Nav norādīts |
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.
04Statuss Indijā
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nosaukumi un saistības
API un pamatviela
Nav norādīts
Nosaukumi un saistības
06Avoti
- S01PubChem CID 53401070
Structure and machine-readable chemical identifiers.