| CAS Number | 1339332-84-1 |
| Catalog Number | AG01DKWN |
| Chemical Name | 2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-yl)ethanamine |
| IUPAC Name | 2,2,2-trifluoro-1-(oxan-3-yl)ethanamine |
| InChI | InChI=1S/C7H12F3NO/c8-7(9,10)6(11)5-2-1-3-12-4-5/h5-6H,1-4,11H2 |
| InChI Key | YXTAPHVTDKXUOJ-UHFFFAOYSA-N |
| MDL Number | MFCD19599971 |
| Molecular Formula | C7H12F3NO |
| Molecular Weight | 183.1715 |
| SMILES | NC(C(F)(F)F)C1COCCC1 |
| Synonyms | 2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-3-YL)ETHANAMINE,
1339332-84-1,
AKOS013211211,
2,2,2-trifluoro-1-(oxan-3-yl)ethan-1-amine,
(1R)-2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-3-YL)ETHAN-1-AMINE,
(1S)-2,2,2-TRIFLUORO-1-(TETRAHYDRO-2H-PYRAN-3-YL)ETHAN-1-AMINE,
|
| Complexity | 148 |
| 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 | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number