1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-fluoro-5-(trifluoromethyl)phenyl]-phenylmethanone

2.1.2 InChI

InChI=1S/C14H8F4O/c15-12-7-6-10(14(16,17)18)8-11(12)13(19)9-4-2-1-3-5-9/h1-8H

2.1.3 InChI Key

SRXSIASKXYCRCC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)C(F)(F)F)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 199292-40-5

2. 2-fluoro-5-trifluoromethylbenzophenone

3. (2-fluoro-5-(trifluoromethyl)phenyl)(phenyl)methanone

4. [2-fluoro-5-(trifluoromethyl)phenyl]-phenylmethanone

5. Methanone, [2-fluoro-5-(trifluoromethyl)phenyl]phenyl-

6. [2-fluoro-5-(trifluoromethyl)phenyl](phenyl)methanone

7. Schembl3660770

8. Dtxsid50341112

9. Zinc156147

10. Amy31910

11. Mfcd00061254

12. Akos005207192

13. Ps-7301

14. 2-fluoro-5-(trifluoromethyl)-benzophenone

15. Db-045033

16. Cs-0156572

17. Ft-0612349

18. F20970

19. A814080

20. [2-fluoro-5-(trifluoromethyl)phenyl]-phenyl-methanone

21. Methanone,[2-fluoro-5-(trifluoromethyl)phenyl]phenyl-

22. [2-fluoro-5-(trifluoromethyl)phenyl](phenyl)methanone #

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₈F₄O
Molecular Weight	268.21 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	268.05112752 g/mol
Monoisotopic Mass	268.05112752 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	320
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

CAS 199292-40-5