| CAS Number | 1342056-79-4 |
| Catalog Number | AG01BKFN |
| Chemical Name | 2,2,2-Trifluoro-1-(tetrahydrofuran-3-yl)ethanamine hcl |
| IUPAC Name | 2,2,2-trifluoro-1-(oxolan-3-yl)ethanamine |
| InChI | InChI=1S/C6H10F3NO/c7-6(8,9)5(10)4-1-2-11-3-4/h4-5H,1-3,10H2 |
| InChI Key | JOWFPQPRIGAJRY-UHFFFAOYSA-N |
| MDL Number | MFCD18736107 |
| Molecular Formula | C6H10F3NO |
| Molecular Weight | 169.1449 |
| SMILES | NC(C(F)(F)F)C1COCC1 |
| Synonyms | 2,2,2-trifluoro-1-(oxolan-3-yl)ethan-1-amine,
AKOS013213416,
(1R)-2,2,2-TRIFLUORO-1-(TETRAHYDROFURAN-3-YL)ETHAN-1-AMINE,
(1S)-2,2,2-TRIFLUORO-1-(TETRAHYDROFURAN-3-YL)ETHAN-1-AMINE,
1342056-79-4,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.147g/mol |
| Monoisotopic Mass | 169.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number