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Also known as: 165115-73-1, 2-(2-(2,4-difluorophenyl)allyl)propane-1,3-diol, 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-, 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol, 2-2-(2,4-difluoro-phenyl)-allyl-propane-1,3-diol, 2-[2-(2,4-difluorophenyl)prop-2-en-1-yl]propane-1,3-diol
Molecular Formula
C12H14F2O2
Molecular Weight
228.23  g/mol
InChI Key
WOLIKRXEOQATPC-UHFFFAOYSA-N

CAS 165115-73-1
1 2D Structure

CAS 165115-73-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol
2.1.2 InChI
InChI=1S/C12H14F2O2/c1-8(4-9(6-15)7-16)11-3-2-10(13)5-12(11)14/h2-3,5,9,15-16H,1,4,6-7H2
2.1.3 InChI Key
WOLIKRXEOQATPC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C=C(CC(CO)CO)C1=C(C=C(C=C1)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 165115-73-1

2. 2-(2-(2,4-difluorophenyl)allyl)propane-1,3-diol

3. 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-

4. 2-[2-(2,4-difluorophenyl)prop-2-enyl]propane-1,3-diol

5. 2-2-(2,4-difluoro-phenyl)-allyl-propane-1,3-diol

6. 2-[2-(2,4-difluorophenyl)prop-2-en-1-yl]propane-1,3-diol

7. 2-(2-(2,4-difluorophenyl)prop-2-en-1-yl)propane-1,3-diol

8. Posaconazole Intermediate-7

9. Ec 605-390-1

10. Schembl12186064

11. Dtxsid30453909

12. 1,3-propanediol, 2-[2-(2,4-difluorophenyl)-2-propenyl]-

13. Amy14819

14. Bcp13096

15. Zinc34623871

16. Akos015912312

17. Ac-8490

18. Sb34124

19. As-75728

20. D92910

21. 115p731

22. 2-[2-(2,4-difluoro-phenyl)-allyl]-propane-1,3-diol

23. 2-[2-(2,4-difluorophenyl)-2-propenyl]-1,3-propanediol

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 228.23 g/mol
Molecular Formula C12H14F2O2
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass228.09618601 g/mol
Monoisotopic Mass228.09618601 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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