1-Boc-2-(trifluoromethyl)piperazine - CAS 886779-77-7
Catalog: |
BB039148 |
Product Name: |
1-Boc-2-(trifluoromethyl)piperazine |
CAS: |
886779-77-7 |
Synonyms: |
2-(trifluoromethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 2-(trifluoromethyl)piperazine-1-carboxylate |
Description: | 1-Boc-2-(trifluoromethyl)piperazine (CAS# 886779-77-7) is a useful research chemical. |
Molecular Weight: | 254.25 |
Molecular Formula: | C10H17F3N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1C(F)(F)F |
InChI: | InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-6-7(15)10(11,12)13/h7,14H,4-6H2,1-3H3 |
InChI Key: | ODGMABGNQLJFIX-UHFFFAOYSA-N |
LogP: | 2.02430 |
Publication Number | Title | Priority Date |
EA-038453-B1 | 6-6-CONDENSED BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS LATS INHIBITORS | 20180329 |
AU-2018260495-A1 | 6-6 Fused Bicyclic Heteroaryl Compounds and their use as LATS inhibitors | 20170428 |
CA-3056906-A1 | 6-6 fused bicyclic heteroaryl compounds and their use as lats inhibitors | 20170428 |
CN-110573511-A | 6-6 fused bicyclic heteroaryl compounds and their use as LATS inhibitors | 20170428 |
EP-3615537-A2 | 6-6 fused bicyclic heteroaryl compounds and their use as lats inhibitors | 20170428 |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.12421228 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.12421228 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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