| CAS Number | 1020931-14-9 |
| Catalog Number | AG019VY8(AGN-PC-0WO412) |
| Chemical Name | (prop-2-yn-1-yl)(2,2,2-trifluoroethyl)amine |
| IUPAC Name | N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine |
| InChI | InChI=1S/C5H6F3N/c1-2-3-9-4-5(6,7)8/h1,9H,3-4H2 |
| InChI Key | YTCIJTPVWBJEII-UHFFFAOYSA-N |
| MDL Number | MFCD11149687 |
| Molecular Formula | C5H6F3N |
| Molecular Weight | 137.1030 |
| SMILES | FC(CNCC#C)(F)F |
| Synonyms | (prop-2-yn-1-yl)(2,2,2-trifluoroethyl)amine,
1020931-14-9,
prop-2-yn-1-yl(2,2,2-trifluoroethyl)amine,
AC1Q4K7Z,
CTK5J0818,
ZINC20033242,
AKOS000248003,
MCULE-3457800381,
NE51388,
EN300-49837,
Z139708212,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.105g/mol |
| Monoisotopic Mass | 137.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number