Chemical identity

(2R,3R)-2-(2,4-difluorophenyl)-1-(4H-1,2,4-triazol-4-yl)butane-2,3-diol

CAS 2122222-14-2 · C12H13F2N3O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-13809
PubChem CID112500555
Name(2R,3R)-2-(2,4-difluorophenyl)-1-(4H-1,2,4-triazol-4-yl)butane-2,3-diol
CAS RN2122222-14-2
Molecular formulaC12H13F2N3O2
Molecular weight269.25 g/mol
IUPAC nameButane-2,3-diol, (2R,3R)-2-(2,4-difluorophenyl)-1-(4H-1,2,4-triazol-4-yl)
InChIKeyAQQXFKBEUJQBQJ-PRHODGIISA-N

02Structure identifiers

2D structurePubChem CID 112500555
Two-dimensional chemical structure of (2R,3R)-2-(2,4-difluorophenyl)-1-(4H-1,2,4-triazol-4-yl)butane-2,3-diol, CAS 2122222-14-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H]([C@](CN1C=NN=C1)(C2=C(C=C(C=C2)F)F)O)O
InChINot listed
Formula from structureC12H13F2N3O2
Molecular weight from structure269.25 g/mol

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 2122222-14-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2122222-14-2 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Efinaconazole

View API and impurity family

Other names

  • Efinaconazole Impurity 15
  • (2R,3R)-2-(2,4-difluorophenyl)-1-(4H-1,2,4-triazol-4-yl)butane-2,3-diol
  • 2122222-14-2
  • SCHEMBL18842347

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources