| CAS Number | 1246466-85-2 |
| Catalog Number | AG00HHQN(AGN-PC-0WBT54) |
| Chemical Name | 3-(Trifluoromethoxy)pyrrolidine hydrochloride |
| IUPAC Name | 3-(trifluoromethoxy)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C5H8F3NO.ClH/c6-5(7,8)10-4-1-2-9-3-4;/h4,9H,1-3H2;1H |
| InChI Key | IIFGGUFFJXGABG-UHFFFAOYSA-N |
| MDL Number | MFCD23381937 |
| Molecular Formula | C5H9ClF3NO |
| Molecular Weight | 191.5793 |
| SMILES | FC(F)(F)OC1CNCC1.[H]Cl |
| Synonyms | 3-(Trifluoromethoxy)pyrrolidine hydrochloride,
1246466-85-2,
C5H9ClF3NO,
(3S)-3-(trifluoromethoxy)pyrrolidine;hydrochloride,
3112AD,
AKOS017343978,
1286761-93-0,
(3R)-3-(TRIFLUOROMETHOXY)PYRROLIDINE;HCL,
(3S)-3-(TRIFLUOROMETHOXY)PYRROLIDINE;HCL,
(3R)-3-(trifluoromethoxy)pyrrolidine;hydrochloride,
N/A,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.578g/mol |
| Monoisotopic Mass | 191.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number