1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,5-difluorophenyl)-phenylmethanone

2.1.2 InChI

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

2.1.3 InChI Key

PNRLNUIMFIMZLI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 179113-89-4

2. (3,5-difluorophenyl)(phenyl)methanone

3. (3,5-difluorophenyl)-phenylmethanone

4. Methanone, (3,5-difluorophenyl)phenyl-

5. Schembl2012795

6. Dtxsid20341043

7. Zinc156280

8. Mfcd00061140

9. Akos009157607

10. Ps-7905

11. (3,5-difluorophenyl)(phenyl)methanone #

12. Cs-0186057

13. Ft-0614597

14. F20976

15. A812428

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈F₂O
Molecular Weight	218.20 g/mol
XLogP3	3.6
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	238
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 179113-89-4