| CAS Number | 1095545-09-7 |
| Catalog Number | AG008RPD |
| Chemical Name | 3-[2-(trifluoromethyl)phenyl]pyrrolidine hydrochloride |
| IUPAC Name | 3-[2-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride |
| InChI | InChI=1S/C11H12F3N.ClH/c12-11(13,14)10-4-2-1-3-9(10)8-5-6-15-7-8;/h1-4,8,15H,5-7H2;1H |
| InChI Key | IEMRSONLHAUTJX-UHFFFAOYSA-N |
| MDL Number | MFCD03701256 |
| Molecular Formula | C11H13ClF3N |
| Molecular Weight | 251.6758 |
| SMILES | Cl.FC(C1=C(C2CNCC2)C=CC=C1)(F)F |
| Synonyms | 3-(2-(Trifluoromethyl)Phenyl)Pyrrolidine Hydrochloride,
1095545-09-7,
3-(2-Trifluoromethylphenyl)pyrrolidine hydrochloride,
3-[2-(trifluoromethyl)phenyl]pyrrolidine hydrochloride,
916831-78-2,
SCHEMBL2394649,
IEMRSONLHAUTJX-UHFFFAOYSA-N,
DB-012076,
FT-0689285,
3-[2-(trifluoromethyl)phenyl]pyrrolidine HCl,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.677g/mol |
| Monoisotopic Mass | 251.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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