Tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate - CAS 647863-25-0
Catalog: |
BB044572 |
Product Name: |
Tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate |
CAS: |
647863-25-0 |
Synonyms: |
tert-Butyl 3-oxo-4-(trifluoroacetyl)piperidine-1-carboxylate; 1-Boc-3-oxo-4-(2,2,2-trifluoroacetyl)piperidine; tert-Butyl 4-(2,2,2-trifluoroacetyl)-3-oxopiperidine-1-carboxylate; 1-tert-butoxycarbonyl-4-(trifluoroacetyl)-3-piperidinone; t-butyl 3-oxo-4-(trifluoroacetyl)piperidin-1-carboxylate; 1-Piperidinecarboxylic acid, 3-oxo-4-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl 3-oxo-4-(trifluoroacetyl)-1-piperidinecarboxylate |
IUPAC Name: | tert-butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate |
Description: | Tert-Butyl 3-oxo-4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate (CAS# 647863-25-0 ) is a useful research chemical. |
Molecular Weight: | 295.25 |
Molecular Formula: | C12H16F3NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC(C(=O)C1)C(=O)C(F)(F)F |
InChI: | InChI=1S/C12H16F3NO4/c1-11(2,3)20-10(19)16-5-4-7(8(17)6-16)9(18)12(13,14)15/h7H,4-6H2,1-3H3 |
InChI Key: | FUHZEIWXMXDMSS-UHFFFAOYSA-N |
Boiling Point: | 341.1±42.0 ℃ at 760 mmHg |
Purity: | ≥ 96 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 425 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.10314248 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.10314248 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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