Benzyl 3-(trifluoromethyl)piperazine-1-carboxylate - CAS 1279815-93-8
Catalog: |
BB054124 |
Product Name: |
Benzyl 3-(trifluoromethyl)piperazine-1-carboxylate |
CAS: |
1279815-93-8 |
Synonyms: |
Benzyl3-(trifluoromethyl)piperazine-1-carboxylate |
IUPAC Name: | benzyl 3-(trifluoromethyl)piperazine-1-carboxylate |
Molecular Weight: | 288.27 |
Molecular Formula: | C13H15F3N2O2 |
Canonical SMILES: | C1CN(CC(N1)C(F)(F)F)C(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C13H15F3N2O2/c14-13(15,16)11-8-18(7-6-17-11)12(19)20-9-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2 |
InChI Key: | STXURQFQMWACFK-UHFFFAOYSA-N |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.10856221 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.10856221 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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