| CAS Number | 946715-68-0 |
| Catalog Number | AG01DOKW(AGN-PC-0WBWAL) |
| Chemical Name | 3-(4-(Trifluoromethoxy)phenoxy)pyrrolidine |
| IUPAC Name | 3-[4-(trifluoromethoxy)phenoxy]pyrrolidine |
| InChI | InChI=1S/C11H12F3NO2/c12-11(13,14)17-9-3-1-8(2-4-9)16-10-5-6-15-7-10/h1-4,10,15H,5-7H2 |
| InChI Key | YEEVMHLTOFWWFK-UHFFFAOYSA-N |
| MDL Number | MFCD08688555 |
| Molecular Formula | C11H12F3NO2 |
| Molecular Weight | 247.2137 |
| SMILES | FC(OC1=CC=C(OC2CNCC2)C=C1)(F)F |
| Synonyms | 3-[4-(TRIFLUOROMETHOXY)PHENOXY]PYRROLIDINE,
946715-68-0,
3-(4-(Trifluoromethoxy)phenoxy)pyrrolidine,
SCHEMBL2300079,
C11H12F3NO2,
CTK7B7436,
DTXSID50663063,
YEEVMHLTOFWWFK-UHFFFAOYSA-N,
4073AF,
AKOS005264483,
RTR-047555,
TR-047555,
3-(4-(trifluoromethoxy)-phenoxy)pyrrolidine,
BB 0259953,
Pyrrolidine,3-[4-(trifluoromethoxy)phenoxy]-,
Pyrrolidine, 3-[4-(trifluoromethoxy)phenoxy]-,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.217g/mol |
| Monoisotopic Mass | 247.082g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number