tert-butyl 2-[(2,2,2-trifluoroethoxy)methyl]piperazine-1-carboxylate - CAS 1956331-60-4
Catalog: |
BB015145 |
Product Name: |
tert-butyl 2-[(2,2,2-trifluoroethoxy)methyl]piperazine-1-carboxylate |
CAS: |
1956331-60-4 |
Synonyms: |
2-(2,2,2-trifluoroethoxymethyl)-1-piperazinecarboxylic acid tert-butyl ester; tert-butyl 2-(2,2,2-trifluoroethoxymethyl)piperazine-1-carboxylate |
IUPAC Name: | tert-butyl 2-(2,2,2-trifluoroethoxymethyl)piperazine-1-carboxylate |
Description: | tert-butyl 2-[(2,2,2-trifluoroethoxy)methyl]piperazine-1-carboxylate (CAS# 1956331-60-4 ) is a useful research chemical. |
Molecular Weight: | 298.306 |
Molecular Formula: | C12H21F3N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNCC1COCC(F)(F)F |
InChI: | InChI=1S/C12H21F3N2O3/c1-11(2,3)20-10(18)17-5-4-16-6-9(17)7-19-8-12(13,14)15/h9,16H,4-8H2,1-3H3 |
InChI Key: | NEUQBHSVWBCDTR-UHFFFAOYSA-N |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.15042702 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.15042702 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 50.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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