| CAS Number | 1240621-52-6 |
| Catalog Number | AG019YLB |
| Chemical Name | Tert-Butyl 3-(Difluoromethyl)Piperazine-1-Carboxylate |
| IUPAC Name | tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate |
| InChI | InChI=1S/C10H18F2N2O2/c1-10(2,3)16-9(15)14-5-4-13-7(6-14)8(11)12/h7-8,13H,4-6H2,1-3H3 |
| InChI Key | LAVXOMKPCHCIBF-UHFFFAOYSA-N |
| MDL Number | MFCD16990519 |
| Molecular Formula | C10H18F2N2O2 |
| Molecular Weight | 236.2589 |
| SMILES | CC(OC(N1CC(C(F)F)NCC1)=O)(C)C |
| Synonyms | tert-butyl 3-(difluoromethyl)piperazine-1-carboxylate,
1240621-52-6,
SCHEMBL1498820,
LAVXOMKPCHCIBF-UHFFFAOYSA-N,
RP28229,
DA-13810,
CS-0079215,
FT-0740685,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.263g/mol |
| Monoisotopic Mass | 236.134g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number