CAS 127852-28-2

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3 Suppliers, 3 End Use APIs, 10 Related Intermediates

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3 End Use APIs
10 Related Intermediates

Chemistry

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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

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 Formula	C₁₀H₈F₆O
Molecular Weight	258.16 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	258.04793385 g/mol
Monoisotopic Mass	258.04793385 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1