1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone

2.1.2 InChI

InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H

2.1.3 InChI Key

NSWPERXXSPCRCT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1190865-44-1

2. 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one

3. Dtxsid101204874

4. Refchem:422887

5. Dtxcid101636293

6. 829-719-5

7. 939-298-0

8. 1-(3,5-dichloro-4-fluoro-phenyl)-2,2,2-trifluoroethanone

9. 3',5'-dichloro-2,2,2,4'-tetrafluoroacetophenone

10. Mfcd23382507

11. Ethanone, 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoro-

12. 1-(3,5-dichloro-4-fluoro-phenyl)-2,2,2-trifluoro-ethanone

13. C8h2cl2f4o

14. Sarolaner Intermediate

15. Orb1297912

16. Schembl12097462

17. Akos017344692

18. Ds-9995

19. Pb48056

20. Sy253916

21. Db-190358

22. Cs-0102824

23. F470774

24. 2,2,2-trifluoro-3',5'-dichloro-4'-fluoroacetophenone

2.3 Create Date

2014-07-12

3 Chemical and Physical Properties

Molecular Formula	C₈H₂Cl₂F₄O
Molecular Weight	261.00 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	17.1
Heavy Atom Count	15
Formal Charge	0
Complexity	244
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 1190865-44-1