| CAS Number | 1628733-94-7 |
| Catalog Number | AG001TID(AGN-PC-0WNGY8) |
| Chemical Name | tert-Butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C10H16F3NO3/c1-9(2,3)17-8(16)14-4-6(5-14)7(15)10(11,12)13/h6-7,15H,4-5H2,1-3H3 |
| InChI Key | SCVZPELRUYYZAH-UHFFFAOYSA-N |
| MDL Number | MFCD30723475 |
| Molecular Formula | C10H16F3NO3 |
| Molecular Weight | 255.2341 |
| SMILES | O=C(N1CC(C(O)C(F)(F)F)C1)OC(C)(C)C |
| Synonyms | tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine-1-carboxylate,
1628733-94-7,
SCHEMBL16057965,
SCVZPELRUYYZAH-UHFFFAOYSA-N,
KS-000006EP,
SB22646,
AS-53888,
CS-0048398,
1-Boc-3-(2,2,2-trifluoro-1-hydroxyethyl)azetidine,
tert-butyl 3-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]azetidine-1-carboxylate,
tert-butyl 3-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]azetidine-1-carboxylate,
2165695-16-7,
2166273-43-2,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.108228g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.23g/mol |
| Monoisotopic Mass | 255.108228g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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