| CAS Number | 1345697-13-3 |
| Catalog Number | AG00IKNF(AGN-PC-0WNH29) |
| Chemical Name | tert-Butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate |
| IUPAC Name | tert-butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate |
| InChI | InChI=1S/C11H20FNO3/c1-10(2,3)16-9(15)13-6-4-5-11(12,7-13)8-14/h14H,4-8H2,1-3H3/t11-/m0/s1 |
| InChI Key | QBQOPNYILDXCBJ-NSHDSACASA-N |
| MDL Number | MFCD28010951 |
| Molecular Formula | C11H20FNO3 |
| Molecular Weight | 233.2798 |
| SMILES | O=C(N1C[C@@](CO)(F)CCC1)OC(C)(C)C |
| Synonyms | 1345697-13-3,
tert-butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate,
(S)-tert-Butyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate,
SCHEMBL12179879,
QBQOPNYILDXCBJ-NSHDSACASA-N,
MFCD28010951,
ZINC75824221,
AKOS030628689,
KS-0000081H,
AS-53309,
CS-0048543,
(3S)-1-Boc-3-fluoro-3-(hydroxymethyl)piperidine,
t-Butyl (3S)-3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate,
1,1-dimethylethyl (3S)-3-fluoro-3-(hydroxymethyl)-1-piperidinecarboxylate,
tert-butyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate,
1209781-11-2,
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| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.283g/mol |
| Monoisotopic Mass | 233.143g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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