| CAS Number | 902836-91-3 |
| Catalog Number | AG00GS8C(AGN-PC-0WBW5U) |
| Chemical Name | 3-[4-(Trifluoromethyl)phenoxy]piperidine |
| IUPAC Name | 3-[4-(trifluoromethyl)phenoxy]piperidine |
| InChI | InChI=1S/C12H14F3NO/c13-12(14,15)9-3-5-10(6-4-9)17-11-2-1-7-16-8-11/h3-6,11,16H,1-2,7-8H2 |
| InChI Key | ZTOREIFGFMIKJW-UHFFFAOYSA-N |
| MDL Number | MFCD08061014 |
| Molecular Formula | C12H14F3NO |
| Molecular Weight | 245.2409 |
| SMILES | C1CC(CNC1)OC2=CC=C(C=C2)C(F)(F)F |
| Synonyms | 3-[4-(TRIFLUOROMETHYL)PHENOXY]PIPERIDINE,
902836-91-3,
3-(4-(Trifluoromethyl)phenoxy)piperidine,
CTK7B6709,
DTXSID10639906,
2701AF,
MFCD08061014,
AKOS009462241,
IMED839664473,
MCULE-5104385812,
RTR-047346,
AS-40607,
TR-047346,
BB 0261881,
ST50407715,
3-[4-(Trifluoromethyl)phenoxy]piperidine, AldrichCPR,
C12H14F3NO,
3-[4- PHENOXY]PIPERIDINE,
3-(4-trifluoromethyl-phenoxy)-piperidine,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.245g/mol |
| Monoisotopic Mass | 245.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number