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3-(Trifluoromethyl)cyclohexan-1-ol

Ei ilmoitettu · C7H11F3O

01Tunnistetiedot

Lazychem IDLC-91945
CAS RNEi ilmoitettu
PubChem CID2777487
Molecular formulaC7H11F3O
Molecular weight168.16 g/mol
IUPAC name3-(trifluoromethyl)cyclohexan-1-ol
InChIKeyWGZGFRDYYXKLRB-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 2777487
Two-dimensional chemical structure of 3-(Trifluoromethyl)cyclohexan-1-ol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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 stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
SMILESC1CC(CC(C1)O)C(F)(F)F
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These 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.

04Tila Intiassa

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nimet ja suhteet

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      06Lähteet