Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 21172-41-8, 3-(3-(trifluoromethyl)phenyl)propanal, 3-[3-(trifluoromethyl)phenyl]propanal, Dtxsid00461591, Dtxcid30412410, 606-717-0
Molecular Formula
C10H9F3O
Molecular Weight
202.17  g/mol
InChI Key
APCCHYPQHODSBD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[3-(trifluoromethyl)phenyl]propanal
2.1.2 InChI
InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2
2.1.3 InChI Key
APCCHYPQHODSBD-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 21172-41-8

2. 3-(3-(trifluoromethyl)phenyl)propanal

3. 3-[3-(trifluoromethyl)phenyl]propanal

4. Dtxsid00461591

5. Dtxcid30412410

6. 606-717-0

7. 3-(3-trifluoromethyl-phenyl)-propionaldehyde

8. Mfcd07772918

9. 3-(3-trifluoromethylphenyl)propionaldehyde

10. Benzenepropanal, 3-(trifluoromethyl)-

11. 3-[3-(trifluoromethyl)phenyl]propionaldehyde

12. Schembl66607

13. Schembl5541700

14. 3-(3-trifluoromethylphenyl)propanal

15. Bcp04289

16. Cs-b0224

17. Akos011897726

18. Ab42281

19. Ac-29727

20. As-18203

21. Sy107576

22. Db-028793

23. 3-[3-(trifluoromethyl)phenyl]-propionaldehyde

24. En300-1932868

25. 3-[3-(trifluoromethyl)phenyl]propionaldehyde, 3-[3-(trifluoromethyl)phenyl]propaldehyde, 3-(3-oxoprop-1-yl)benzotrifluoride

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 202.17 g/mol
Molecular Formula C10H9F3O
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area17.1
Heavy Atom Count14
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1