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Also known as: 127852-28-2, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol, (1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, (r)-1-(3,5-bis-trifluoromethyl-phenyl)-ethanol, (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol
Molecular Formula
C10H8F6O
Molecular Weight
258.16  g/mol
InChI Key
MMSCIQKQJVBPIR-RXMQYKEDSA-N

CAS 127852-28-2
1 2D Structure

CAS 127852-28-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
2.1.2 InChI
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-/m1/s1
2.1.3 InChI Key
MMSCIQKQJVBPIR-RXMQYKEDSA-N
2.1.4 Canonical SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
2.1.5 Isomeric SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 127852-28-2

2. (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol

3. (1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol

4. (r)-1-(3,5-bis-trifluoromethyl-phenyl)-ethanol

5. (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol

6. (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol

7. Mfcd03093010

8. (r)-1-(3,5-bis-trifluoromethylphenyl)ethanol

9. Schembl265045

10. Amy369

11. Dtxsid80381243

12. Bcp27255

13. Cs-d0702

14. Zinc2382862

15. Akos005063416

16. Akos010366354

17. Ac-6709

18. As-19515

19. (1r)-3,5-bis(trifluoromethyl)phenylethanol

20. B4131

21. (r)-[3,5-bis(trifluoromethyl)phenyl] Ethanol

22. (r)-1-[3,5-bis(trifluoromethyl)-phenyl]ethanol

23. (r)-1-[bis-3,5-(trifluoromethyl)phenyl]ethanol

24. (r)-1-[3,5-bis(trifluoro-methyl)-phenyl]ethanol

25. As-813/43495601

26. J-502134

27. (1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol

28. (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl Alcohol

29. Benzenemethanol, Alpha-methyl-3,5-bis(trifluoromethyl)

30. (r)-3,5-bis(trifluoromethyl)-alpha-methylbenzyl Alcohol

31. (1r)-(+)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol

32. Benzenemethanol, A-methyl-3,5-bis(trifluoromethyl)-, (ar)-

33. (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, >=98.0% (gc)

34. Benzenemethanol, Alpha-methyl-3,5-bis(trifluoromethyl)-, (alphar)-

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 258.16 g/mol
Molecular Formula C10H8F6O
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass258.04793385 g/mol
Monoisotopic Mass258.04793385 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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