| CAS Number | 1909316-46-6 |
| Catalog Number | AG01C29Y |
| Chemical Name | tert-butyl N-{[3-(difluoromethyl)pyrrolidin-3-yl]methyl}carbamate |
| IUPAC Name | tert-butyl N-[[3-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate |
| InChI | InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-7-11(8(12)13)4-5-14-6-11/h8,14H,4-7H2,1-3H3,(H,15,16) |
| InChI Key | IVORNZPANYCEIQ-UHFFFAOYSA-N |
| MDL Number | MFCD29054933 |
| Molecular Formula | C11H20F2N2O2 |
| Molecular Weight | 250.2855 |
| SMILES | CC(OC(NCC1(C(F)F)CNCC1)=O)(C)C |
| Synonyms | 1909316-46-6,
tert-butyl N-{[3-(difluoromethyl)pyrrolidin-3-yl]methyl}carbamate,
AKOS033859208,
Z2301499687,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.149g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.29g/mol |
| Monoisotopic Mass | 250.149g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number