| CAS Number | 1782472-66-5 |
| Catalog Number | AG01AFPI |
| Chemical Name | 4-(Trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline |
| IUPAC Name | 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C10H10F3N/c11-10(12,13)9-6-14-5-7-3-1-2-4-8(7)9/h1-4,9,14H,5-6H2 |
| InChI Key | MYLHWAPUKOBFOT-UHFFFAOYSA-N |
| MDL Number | MFCD28526069 |
| Molecular Formula | C10H10F3N |
| Molecular Weight | 201.1883 |
| SMILES | FC(C1C2=C(C=CC=C2)CNC1)(F)F |
| Synonyms | 4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline,
1782472-66-5,
AKOS024073618,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.192g/mol |
| Monoisotopic Mass | 201.077g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number