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2D Structure
Also known as: 372-18-9, M-difluorobenzene, Benzene, 1,3-difluoro-, Benzene, m-difluoro-, 2,4-difluorobenzene, Meta-difluorobenzene
Molecular Formula
C6H4F2
Molecular Weight
114.09  g/mol
InChI Key
UEMGWPRHOOEKTA-UHFFFAOYSA-N
FDA UNII
VO3C26WOC2

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-difluorobenzene
2.1.2 InChI
InChI=1S/C6H4F2/c7-5-2-1-3-6(8)4-5/h1-4H
2.1.3 InChI Key
UEMGWPRHOOEKTA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)F)F
2.2 Other Identifiers
2.2.1 UNII
VO3C26WOC2
2.3 Synonyms
2.3.1 MeSH Synonyms

1. M-difluorobenzene

2.3.2 Depositor-Supplied Synonyms

1. 372-18-9

2. M-difluorobenzene

3. Benzene, 1,3-difluoro-

4. Benzene, M-difluoro-

5. 2,4-difluorobenzene

6. Meta-difluorobenzene

7. 1,3-difluoro Benzene

8. 1,3-difluorbenzol

9. Vo3c26woc2

10. Nsc-10285

11. Einecs 206-746-5

12. Mfcd00000327

13. Nsc 10285

14. Unii-vo3c26woc2

15. 1,3difluorobenzene

16. 1 3-difluorobenzene

17. 1,3 Difluorobenzene

18. Benzene,3-difluoro-

19. 1,3 Difluoro Benzene

20. 1,3-difluoro-benzene

21. Wln: Fr Cf

22. Schembl13329

23. 1,3-bisfluorobenzene

24. 1,3-difluorobenzene, >=99%

25. Chebi:38584

26. Dtxsid50190682

27. Zinc388529

28. Nsc10285

29. Akos000119939

30. Ps-11965

31. Db-019928

32. Db-049081

33. Am20050129

34. D1626

35. Ft-0606664

36. W-106561

37. Q27117910

38. F0001-1068

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 114.09 g/mol
Molecular Formula C6H4F2
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass114.02810645 g/mol
Monoisotopic Mass114.02810645 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity64.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1