| CAS Number | 201487-93-6 |
| Catalog Number | AG019XWH(AGN-PC-00OVP9) |
| Chemical Name | 2,2,2-trifluoroethyl N-pentylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-pentylcarbamate |
| InChI | InChI=1S/C8H14F3NO2/c1-2-3-4-5-12-7(13)14-6-8(9,10)11/h2-6H2,1H3,(H,12,13) |
| InChI Key | LKXHYLJLWMAHHQ-UHFFFAOYSA-N |
| MDL Number | MFCD13368231 |
| Molecular Formula | C8H14F3NO2 |
| Molecular Weight | 213.1975 |
| SMILES | CCCCCNC(OCC(F)(F)F)=O |
| Synonyms | 2,2,2-trifluoroethyl N-pentylcarbamate,
201487-93-6,
AC1Q2WKO,
CTK6E1443,
ZINC39947470,
AKOS010973336,
MCULE-3106467704,
NE59944,
EN300-56230,
N-Pentylcarbamic acid 2,2,2-trifluoroethyl ester,
Z857667114,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.2g/mol |
| Monoisotopic Mass | 213.098g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number