| CAS Number | 2138218-64-9 |
| Catalog Number | AG01EL27 |
| Chemical Name | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(trifluoromethyl)piperidine-4-carboxylic acid |
| IUPAC Name | 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C22H20F3NO4/c23-22(24,25)21(19(27)28)9-11-26(12-10-21)20(29)30-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18H,9-13H2,(H,27,28) |
| InChI Key | PQMGFUTUOIWVTM-UHFFFAOYSA-N |
| MDL Number | MFCD31590086 |
| Molecular Formula | C22H20F3NO4 |
| Molecular Weight | 419.3937 |
| SMILES | OC(C1(C(F)(F)F)CCN(C(OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)=O)CC1)=O |
| Synonyms | 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(trifluoromethyl)piperidine-4-carboxylic acid,
2138218-64-9,
|
| Complexity | 637 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.134g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.4g/mol |
| Monoisotopic Mass | 419.134g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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