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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H8F6O
Molecular Weight 258.1603
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, (S)-

SMILES

C[C@H](O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChIKey=MMSCIQKQJVBPIR-YFKPBYRVSA-N
InChI=1S/C10H8F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5,17H,1H3/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H8F6O
Molecular Weight 258.1603
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:21:34 GMT 2025
Edited
by admin
on Wed Apr 02 17:21:34 GMT 2025
Record UNII
2WG6WYZ6K3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-[3,5-Bis(trifluoromethyl)phenyl]ethanol, (S)-
Systematic Name English
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Preferred Name English
(?S)-?-Methyl-3,5-bis(trifluoromethyl)benzenemethanol
Systematic Name English
Benzenemethanol, ?-methyl-3,5-bis(trifluoromethyl)-, (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9816575
Created by admin on Wed Apr 02 17:21:34 GMT 2025 , Edited by admin on Wed Apr 02 17:21:34 GMT 2025
PRIMARY
FDA UNII
2WG6WYZ6K3
Created by admin on Wed Apr 02 17:21:34 GMT 2025 , Edited by admin on Wed Apr 02 17:21:34 GMT 2025
PRIMARY
EPA CompTox
DTXSID00431239
Created by admin on Wed Apr 02 17:21:34 GMT 2025 , Edited by admin on Wed Apr 02 17:21:34 GMT 2025
PRIMARY
CAS
225920-05-8
Created by admin on Wed Apr 02 17:21:34 GMT 2025 , Edited by admin on Wed Apr 02 17:21:34 GMT 2025
PRIMARY