1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,4-difluorophenyl)-phenylmethanone

2.1.2 InChI

InChI=1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H

2.1.3 InChI Key

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85118-07-6

2. (3,4-difluorophenyl)(phenyl)methanone

3. Methanone, (3,4-difluorophenyl)phenyl-

4. (3,4-difluorophenyl)-phenylmethanone

5. Mfcd00009892

6. 3,4-difluorophenyl Phenyl Ketone

7. Einecs 285-659-4

8. Schembl332679

9. 3,4-difluorobenzophenone, 98%

10. Dtxsid80234245

11. Zinc155254

12. Act12894

13. (3,4-difluorophenyl)phenylmethanone

14. Akos005257890

15. Ac-1570

16. Am62121

17. Cs-w014804

18. (3,4-difluorophenyl)(phenyl)methanone #

19. Ns-02554

20. Db-021887

21. D3576

22. Ft-0614281

23. A19681

24. N11928

25. Amino-(tetrahydropyran-4-yl)aceticacidmethylester

26. J-501095

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈F₂O
Molecular Weight	218.20 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	218.05432120 g/mol
Monoisotopic Mass	218.05432120 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
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 85118-07-6