CAS 78573-45-2

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Chemistry

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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

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 Formula	C₁₀H₁₁F₃O
Molecular Weight	204.19 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	204.07619946 g/mol
Monoisotopic Mass	204.07619946 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	167
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1