| CAS Number | 1212257-11-8 |
| Catalog Number | AG01DM16 |
| Chemical Name | TRANS-METHYL 4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLATE |
| IUPAC Name | methyl 4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate |
| InChI | InChI=1S/C13H14F3NO2/c1-19-12(18)11-7-17-6-10(11)8-2-4-9(5-3-8)13(14,15)16/h2-5,10-11,17H,6-7H2,1H3 |
| InChI Key | PJNOYJGTPZLFEN-UHFFFAOYSA-N |
| MDL Number | MFCD01862549 |
| Molecular Formula | C13H14F3NO2 |
| Molecular Weight | 273.2510 |
| SMILES | FC(C1=CC=C(C=C1)[C@H]1[C@@H](CNC1)C(=O)OC)(F)F |
| Synonyms | Methyl 4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate,
1022224-85-6,
Trans-methyl 4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate,
Methyl 4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate,
1212257-11-8,
AC1MY0AJ,
DTXSID10396244,
4-[4-(trifluoromethyl)phenyl]-3-pyrrolidinecarboxylic acid methyl ester,
AKOS015851601,
A800547,
F1911-4241,
CID3774242,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.255g/mol |
| Monoisotopic Mass | 273.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number