| CAS Number | 1250998-75-4 |
| Catalog Number | AG019ET0(AGN-PC-0WG4EI) |
| Chemical Name | TERT-BUTYL 1-(TRIFLUOROMETHYL)-2,8-DIAZASPIRO[4.5]DECANE-8-CARBOXYLATE |
| IUPAC Name | tert-butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate |
| InChI | InChI=1S/C14H23F3N2O2/c1-12(2,3)21-11(20)19-8-5-13(6-9-19)4-7-18-10(13)14(15,16)17/h10,18H,4-9H2,1-3H3 |
| InChI Key | UXNQKSDMAUQSOE-UHFFFAOYSA-N |
| MDL Number | MFCD14581162 |
| Molecular Formula | C14H23F3N2O2 |
| Molecular Weight | 308.3398 |
| SMILES | CC(C)(C)OC(=O)N1CCC2(CCNC2C(F)(F)F)CC1 |
| Synonyms | tert-Butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate,
1250998-75-4,
MFCD14581162,
AM804967,
CS-0036229,
t-Butyl 1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate,
tert-butyl1-(trifluoromethyl)-2,8-diazaspiro[4.5]decane-8-carboxylate,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.171g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.345g/mol |
| Monoisotopic Mass | 308.171g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number