| CAS Number | 168544-95-4 |
| Catalog Number | AG00ILAX(AGN-PC-0Q98RN) |
| Chemical Name | rac-tert-butyl N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate |
| IUPAC Name | tert-butyl N-[(3R,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate |
| InChI | InChI=1S/C10H17F3N2O2/c1-9(2,3)17-8(16)15-7-5-14-4-6(7)10(11,12)13/h6-7,14H,4-5H2,1-3H3,(H,15,16)/t6-,7-/m0/s1 |
| InChI Key | TTZLWOFPFKRYBC-BQBZGAKWSA-N |
| MDL Number | MFCD30803077 |
| Molecular Formula | C10H17F3N2O2 |
| Molecular Weight | 254.2494 |
| SMILES | FC([C@H]1[C@@H](CNC1)NC(OC(C)(C)C)=O)(F)F |
| Synonyms | 168544-95-4,
tert-butyl N-[trans-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate,
SCHEMBL4510622,
MFCD30803077,
AS-54343,
CS-0047934,
t-Butyl N-[trans-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate,
Carbamic acid, [(3R,4S)-4-(trifluoromethyl)-3-pyrrolidinyl]-,1,1-dimethylethyl ester, rel-,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.253g/mol |
| Monoisotopic Mass | 254.124g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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