| CAS Number | 854889-47-7 |
| Catalog Number | AG019VAN(AGN-PC-0WO5TF) |
| Chemical Name | 2,2,2-trifluoroethyl N-ethylcarbamate |
| IUPAC Name | 2,2,2-trifluoroethyl N-ethylcarbamate |
| InChI | InChI=1S/C5H8F3NO2/c1-2-9-4(10)11-3-5(6,7)8/h2-3H2,1H3,(H,9,10) |
| InChI Key | UCQSNLPSNYTOCJ-UHFFFAOYSA-N |
| MDL Number | MFCD12197350 |
| Molecular Formula | C5H8F3NO2 |
| Molecular Weight | 171.1177 |
| SMILES | CCNC(OCC(F)(F)F)=O |
| Synonyms | 2,2,2-trifluoroethyl N-ethylcarbamate,
854889-47-7,
AC1Q31EB,
SCHEMBL967570,
CTK6F2099,
ZINC36378521,
AKOS008965518,
MCULE-1975274551,
NE15503,
EN300-44254,
Z56324672,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.119g/mol |
| Monoisotopic Mass | 171.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number