Chemical identity

(alphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol

CAS 127852-28-2 · C10H8F6O

01Identity

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

Lazychem IDLC-06626
PubChem CID2779031
Name(alphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
CAS RN127852-28-2
Molecular formulaC10H8F6O
Molecular weight258.2 g/mol
IUPAC name(R)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol
InChIKeyMMSCIQKQJVBPIR-RXMQYKEDSA-N

02Structure identifiers

2D structurePubChem CID 2779031
Two-dimensional chemical structure of (alphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol, CAS 127852-28-2
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
InChINot listed
Formula from structureC10H8F6O
Molecular weight from structure258.2 g/mol

03Stereochemistry

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

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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 127852-28-2 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 127852-28-2 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

Aprepitant

View API and impurity family

Other names

  • Aprepitant Impurity 15
  • (2R,3S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)-3-phenylmorpholine 4-oxide
  • (alphaR)-alpha-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
  • RefChem:405717
  • 127852-28-2
  • (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
  • (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
  • MFCD03093010
  • (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol
  • (1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-ol
  • Aprepitant Impurity 37
  • Benzenemethanol, alpha-methyl-3,5-bis(trifluoromethyl)-, (alphaR)-

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