1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
Structure Info
- Chemspace ID
- CSSB21332140468 (In-Stock Building Blocks)
- IUPAC Name
- 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
- Mol formula
- C16H19BF6N2O3
- Mol weight
- 412 Da
- Catalog Number(s)
- BBLS21332140468, EN300-54981093, bbls21332140468
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.06
- Heavy atoms count
- 28
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.562
- Polar surface area (Å)
- 60
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea (C16H19BF6N2O3) - CSSB21332140468](/st/structure/200/04c78ed1788e9f91a65144c79b766b50/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NCC%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png "C16H19BF6N2O3")
- Zoom the structure
- CSSB21332140468
Items Overall 8 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 707.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 741.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 776.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 809.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 842.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 1,650.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 2,443.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 3,622.00 |
For a custom pack size or bulk
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Substructure Analogs
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-[(2R)-1,1,1-trifluoropropan-2-yl]urea - CSSB21332058069](/st/structure/200/8b8a68322bcd739386b17f0502fe160a/C%255BC%2540%2540H%255D%2528NC%2528%253DO%2529NC1%253DC%2528C%253DC%2528C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1%2529C%2528F%2529%2528F%2529F%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1,1,1-trifluoropropan-2-yl)urea - CSSB21332139708](/st/structure/200/cf6a38adc378bde9fe501b361bc3d96f/CC%2528NC%2528%253DO%2529NC1%253DC%2528C%253DC%2528C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1%2529C%2528F%2529%2528F%2529F%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea - CSSB21332130500](/st/structure/200/deb2b2e25f799eb90fba55e5684db6aa/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NC2%2528CC2%2529C%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)urea - CSSB21332130752](/st/structure/200/0593b594a4588278fbb5c2448e22fdf1/CC%2528C%2529%2528NC%2528%253DO%2529NC1%253DC%2528C%253DC%2528C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1%2529C%2528F%2529%2528F%2529F%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(1,1-dichloro-2,2,2-trifluoroethyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332128980](/st/structure/200/d24eecfc46c82c25abd44b8bc19f23af/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NC%2528Cl%2529%2528Cl%2529C%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(1,1,1,3,3,3-hexafluoropropan-2-yl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332059910](/st/structure/200/e136c59d1273e46e0e634554253c6e02/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NC%2528C%2528F%2529%2528F%2529F%2529C%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-[5,6-dichloro-2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332139944](/st/structure/200/7f2fe20d57be64abd556ab3d4a11d8e8/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NC2%2528OC3%253DC%2528O2%2529C%253DC%2528Cl%2529C%2528Cl%2529%253DC3%2529C%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
Similarity Analogs
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-(3,3,3-trifluoropropyl)urea - CSSB21332058068](/st/structure/200/9b00b8d7d53cb43a68dfdb3d303c2b92/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NCCC%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(2,2-dimethylpropyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332114873](/st/structure/200/f024b248d5f02e056e2a871a6045b14c/CC%2528C%2529%2528C%2529CNC%2528%253DO%2529NC1%253DC%2528C%253DC%2528C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(2,2-difluoropropyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332140453](/st/structure/200/e27f16a8697184b05e91014e1ad16e09/CC%2528F%2529%2528F%2529CNC%2528%253DO%2529NC1%253DC%2528C%253DC%2528C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(3,3-difluoropropyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332140454](/st/structure/200/7327d3a19f513ee1e63407f3094e46ef/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NCCC%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(2-cyclobutylethyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332137916](/st/structure/200/912f8f993a23b329a31558060bbbe760/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NCCC2CCC2%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 3-(2-cyclopentylethyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]urea - CSSB21332058071](/st/structure/200/7b7bb4111c35690ed2987e3784b1c1ae/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NCCC2CCCC2%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
![Chemical structure of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl]-3-[(2,2,2-trifluoroethoxy)methyl]urea - CSSB21332132144](/st/structure/200/27e476cd0f71802c11d3232b80d4d66e/CC1%2528C%2529OB%2528OC1%2528C%2529C%2529C1%253DCC%2528%253DC%2528NC%2528%253DO%2529NCOCC%2528F%2529%2528F%2529F%2529C%253DC1%2529C%2528F%2529%2528F%2529F.png)
