| CAS Number | 1154884-31-7 |
| Catalog Number | AG01EJ46 |
| Chemical Name | N-(2,2,2-trifluoroethyl)oxan-4-amine |
| IUPAC Name | N-(2,2,2-trifluoroethyl)oxan-4-amine |
| InChI | InChI=1S/C7H12F3NO/c8-7(9,10)5-11-6-1-3-12-4-2-6/h6,11H,1-5H2 |
| InChI Key | IQQNCZOHVNBOPL-UHFFFAOYSA-N |
| MDL Number | MFCD12087462 |
| Molecular Formula | C7H12F3NO |
| Molecular Weight | 183.1715 |
| SMILES | FC(CNC1CCOCC1)(F)F |
| Synonyms | N-(2,2,2-trifluoroethyl)oxan-4-amine,
ZINC36303704,
AKOS009623864,
F8882-2533,
1154884-31-7,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.174g/mol |
| Monoisotopic Mass | 183.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number