| CAS Number | 1303974-56-2 |
| Catalog Number | AG00HS1I(AGN-PC-0WNGQ9) |
| Chemical Name | ethyl 1-benzyl-4,4-difluoropiperidine-3-carboxylate |
| IUPAC Name | ethyl 1-benzyl-4,4-difluoropiperidine-3-carboxylate |
| InChI | InChI=1S/C15H19F2NO2/c1-2-20-14(19)13-11-18(9-8-15(13,16)17)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3 |
| InChI Key | QOHOSDXPUXGUNY-UHFFFAOYSA-N |
| MDL Number | MFCD18909849 |
| Molecular Formula | C15H19F2NO2 |
| Molecular Weight | 283.3137 |
| SMILES | O=C(C1CN(CC2=CC=CC=C2)CCC1(F)F)OCC |
| Synonyms | ETHYL 1-BENZYL-4,4-DIFLUOROPIPERIDINE-3-CARBOXYLATE,
1303974-56-2,
SCHEMBL12491068,
QOHOSDXPUXGUNY-UHFFFAOYSA-N,
MFCD18909849,
AKOS027251246,
KS-0000056S,
AS-39116,
CS-0049557,
Ethyl 4,4-difluoro-1-(phenylmethyl)-3-piperidinecarboxylate,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.319g/mol |
| Monoisotopic Mass | 283.138g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number