CAS 830346-46-8

Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

Virtual Booth

Contact Supplier

SPI Pharma has been solving formulation challenges using superior functional materials.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 830346-46-8, [2-fluoro-6-(trifluoromethyl)phenyl]methylurea, N4jsg57pwf, N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]urea, 1-(2-fluoro-6-(trifloromethyl)benzyl)urea, N-[2-fluoro-6-(trifluoromethyl)benzyl]urea

Molecular Formula

C₉H₈F₄N₂O

Molecular Weight

236.17 g/mol

InChI Key

NLKRQVSNIXWLBR-UHFFFAOYSA-N

FDA UNII

N4JSG57PWF

1 2D Structure

CAS 830346-46-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-fluoro-6-(trifluoromethyl)phenyl]methylurea

2.1.2 InChI

InChI=1S/C9H8F4N2O/c10-7-3-1-2-6(9(11,12)13)5(7)4-15-8(14)16/h1-3H,4H2,(H3,14,15,16)

2.1.3 InChI Key

NLKRQVSNIXWLBR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)F)CNC(=O)N)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

N4JSG57PWF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 830346-46-8

2. [2-fluoro-6-(trifluoromethyl)phenyl]methylurea

3. N4jsg57pwf

4. N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]urea

5. 1-(2-fluoro-6-(trifloromethyl)benzyl)urea

6. N-[2-fluoro-6-(trifluoromethyl)benzyl]urea

7. Mfcd12546644

8. Urea, [[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-

9. (2-fluoro-6-trifluoromethyl-benzyl)-urea

10. 1-[2-fluoro-6-(trifluoromethyl)benzyl]urea

11. N-(2-fluoro-6-(trifluoromethyl)benzyl)urea

12. N-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)urea

13. N-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}urea

14. Urea, ((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-

15. Urea, N-((2-fluoro-6-(trifluoromethyl)phenyl)methyl)-

16. Urea, N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-

17. Elagolix Intermediate 3

18. Unii-n4jsg57pwf

19. Schembl1642074

20. Dtxsid30621904

21. Amy16507

22. Bcp17301

23. Zinc35973428

24. Fluoro-6-(trifluoromethyl)benzyl)urea

25. Akos015890798

26. Ds-7162

27. Sb67297

28. Ac-31334

29. Sy060970

30. J-503013

2.4 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₈F₄N₂O
Molecular Weight	236.17 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	236.05727553 g/mol
Monoisotopic Mass	236.05727553 g/mol
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	256
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 830346-46-8 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?