| CAS Number | 1019443-66-3 |
| Catalog Number | AG000613(AGN-PC-06VIC1) |
| Chemical Name | 2-(3-Trifluoromethylphenoxy)methylpiperidine |
| IUPAC Name | 2-[[3-(trifluoromethyl)phenoxy]methyl]piperidine |
| InChI | InChI=1S/C13H16F3NO/c14-13(15,16)10-4-3-6-12(8-10)18-9-11-5-1-2-7-17-11/h3-4,6,8,11,17H,1-2,5,7,9H2 |
| InChI Key | WMPHKVGGCCEZHM-UHFFFAOYSA-N |
| MDL Number | MFCD13272699 |
| Molecular Formula | C13H16F3NO |
| Molecular Weight | 259.2674 |
| SMILES | FC(c1cccc(c1)OCC1CCCCN1)(F)F |
| Synonyms | 1019443-66-3,
2-((3-(Trifluoromethyl)phenoxy)methyl)piperidine,
2-(3-TRIFLUOROMETHYLPHENOXY)METHYLPIPERIDINE,
2-{[3-(Trifluoromethyl)phenoxy]methyl}piperidine,
ACMC-2097xj,
CTK4A0453,
DTXSID40656505,
ANW-14549,
MFCD13272699,
AKOS000211822,
TR-033831,
ST24021605,
A-4133,
I14-25374,
Piperidine, 2-[[3-(trifluoromethyl)phenoxy]methyl]-,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.272g/mol |
| Monoisotopic Mass | 259.118g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number