| CAS Number | 383127-84-2 |
| Catalog Number | AG00BYL6(AGN-PC-0WQWWF) |
| Chemical Name | 2-(2-Fluorobenzyl)pyrrolidine |
| IUPAC Name | 2-[(2-fluorophenyl)methyl]pyrrolidine |
| InChI | InChI=1S/C11H14FN/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h1-2,4,6,10,13H,3,5,7-8H2 |
| InChI Key | QCUXMVRXZZBSCE-UHFFFAOYSA-N |
| MDL Number | MFCD02663529 |
| Molecular Formula | C11H14FN |
| Molecular Weight | 179.2340 |
| SMILES | FC1=CC=CC=C1CC2NCCC2 |
| Synonyms | 2-(2-fluorobenzyl)pyrrolidine,
383127-84-2,
2-[(2-fluorophenyl)methyl]pyrrolidine,
AC1Q4L4T,
SCHEMBL469052,
AC1NN287,
CTK7C2401,
BBL020491,
MFCD02663529,
STK893187,
AKOS000152159,
AKOS022061193,
MCULE-7563744257,
2-(2-Fluorobenzyl)pyrrolidine, AldrichCPR,
H8256,
CID5035636,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.238g/mol |
| Monoisotopic Mass | 179.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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