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Also known as: 78573-45-2, 3-[3-(trifluoromethyl)phenyl]propan-1-ol, 3-(3'-trifluoromethyl phenyl) propanol, 3-[3-(trifluoromethyl)phenyl]-1-propanol, 3-(3-trifluoromethyl-phenyl)-propan-1-ol, 3-(trifluoromethyl)benzenepropanol
Molecular Formula
C10H11F3O
Molecular Weight
204.19  g/mol
InChI Key
QWXKQVIMGVVIBX-UHFFFAOYSA-N

CAS 78573-45-2
1 2D Structure

CAS 78573-45-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[3-(trifluoromethyl)phenyl]propan-1-ol
2.1.2 InChI
InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
2.1.3 InChI Key
QWXKQVIMGVVIBX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)C(F)(F)F)CCCO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 78573-45-2

2. 3-[3-(trifluoromethyl)phenyl]propan-1-ol

3. 3-(3'-trifluoromethyl Phenyl) Propanol

4. 3-[3-(trifluoromethyl)phenyl]-1-propanol

5. 3-(3-trifluoromethyl-phenyl)-propan-1-ol

6. 3-(trifluoromethyl)benzenepropanol

7. Benzenepropanol, 3-(trifluoromethyl)-

8. 3-[3-(trifluoromethyl)phenyl]propanol

9. Mfcd08706408

10. 3-(3'-trifluoromethylphenyl)propanol

11. Schembl81305

12. Chebi:48528

13. Dtxsid10595957

14. 3-(3-trifluoromethylphenyl)propanol

15. Amy31446

16. Bcp12311

17. Cs-m0619

18. Zinc22008403

19. Akos011896864

20. Sb38757

21. 3-(3-trifluoromethylphenyl)-1-propanol

22. 3-(3-trifluoromethylphenyl)propan-1-ol

23. Ac-29726

24. Ds-12921

25. Sy029878

26. Ft-0649412

27. T3095

28. A26168

29. 573t452

30. J-510631

31. Q27121255

32. 3-(3-(trifluoromethyl)phenyl)propan-1-ol;3-[3-(trifluoromethyl)phenyl]-1-propanol

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 204.19 g/mol
Molecular Formula C10H11F3O
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass204.07619946 g/mol
Monoisotopic Mass204.07619946 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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