tert-butyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate - CAS 1240587-95-4
Catalog: |
BB054391 |
Product Name: |
tert-butyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate |
CAS: |
1240587-95-4 |
Synonyms: |
(3S)-3-(Trifluoromethyl)-1-piperazinecarboxylic acid 1,1-Dimethylethyl Ester |
IUPAC Name: | tert-butyl (3S)-3-(trifluoromethyl)piperazine-1-carboxylate |
Molecular Weight: | 254.25 |
Molecular Formula: | C10H17F3N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCNC(C1)C(F)(F)F |
InChI: | InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-5-4-14-7(6-15)10(11,12)13/h7,14H,4-6H2,1-3H3/t7-/m0/s1 |
InChI Key: | WCGKHZHOGLVVPU-ZETCQYMHSA-N |
Complexity: | 286 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
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: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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