Chemical identity

(2R)-1-(2,4-difluorophenyl)-2-hydroxypropan-1-one

CAS 126918-16-9 · C9H8F2O2

01Identity

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

Lazychem IDLC-13808
PubChem CID9794084
Name(2R)-1-(2,4-difluorophenyl)-2-hydroxypropan-1-one
CAS RN126918-16-9
Molecular formulaC9H8F2O2
Molecular weight186.2 g/mol
IUPAC name(R)-1-(2,4-Difluorophenyl)-2-hydroxypropan-1-one
InChIKeyREHMWFXPLWURSF-RXMQYKEDSA-N

02Structure identifiers

2D structurePubChem CID 9794084
2D structure: (2R)-1-(2,4-difluorophenyl)-2-hydroxypropan-1-one, CAS 126918-16-9
Structure of (2R)-1-(2,4-difluorophenyl)-2-hydroxypropan-1-one (CAS 126918-16-9). LazyChem record. Source identity: PubChem CID 9794084. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC9H8F2O2
InChIKeyREHMWFXPLWURSF-RXMQYKEDSA-N
Ring count1
Defined stereocentres1
Unassigned stereocentres0
SMILESC[C@H](C(=O)C1=C(C=C(C=C1)F)F)O
InChIInChI=1S/C9H8F2O2/c1-5(12)9(13)7-3-2-6(10)4-8(7)11/h2-5,12H,1H3/t5-/m1/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 126918-16-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 126918-16-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Efinaconazole

View API and impurity family

Other names

  • Efinaconazole Impurity 13
  • 1-Propanone, 1-(2,4-difluorophenyl)-2-hydroxy-, (2R)-
  • (R)-1-(2,4-Difluorophenyl)-2-hydroxy-1-propanone
  • REHMWFXPLWURSF-RXMQYKEDSA-N
  • (2R)-2',4'-difluoro-2-hydroxypropiophenone

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