| CAS Number | 953718-47-3 |
| Catalog Number | AG01A46S |
| Chemical Name | 1-[1-Amino-2-(3-fluorophenoxy)ethyl]-3-(trifluoromethyl)benzene |
| IUPAC Name | 2-(3-fluorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine |
| InChI | InChI=1S/C15H13F4NO/c16-12-5-2-6-13(8-12)21-9-14(20)10-3-1-4-11(7-10)15(17,18)19/h1-8,14H,9,20H2 |
| InChI Key | DKVHEFKXNOALTI-UHFFFAOYSA-N |
| MDL Number | MFCD09727769 |
| Molecular Formula | C15H13F4NO |
| Molecular Weight | 299.2634 |
| SMILES | NC(C1=CC(C(F)(F)F)=CC=C1)COC1=CC(F)=CC=C1 |
| Synonyms | 953718-47-3,
1-{2-amino-2-[3-(trifluoromethyl)phenyl]ethoxy}-3-fluorobenzene,
2-(3-fluorophenoxy)-1-[3-(trifluoromethyl)phenyl]ethan-1-amine,
CTK7C2075,
AKOS009140371,
NE49268,
Z2466636214,
1-[1-amino-2-(3-fluorophenoxy)ethyl]-3-(trifluoromethyl)benzene,
2-(3-FLUOROPHENOXY)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANAMINE,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.269g/mol |
| Monoisotopic Mass | 299.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number