| CAS Number | 926216-03-7 |
| Catalog Number | AG019MSD(AGN-PC-0WO5VP) |
| Chemical Name | 1-(2,2,2-trifluoroethyl)-1,4-diazepane |
| IUPAC Name | 1-(2,2,2-trifluoroethyl)-1,4-diazepane |
| InChI | InChI=1S/C7H13F3N2/c8-7(9,10)6-12-4-1-2-11-3-5-12/h11H,1-6H2 |
| InChI Key | BIHMTOQLCAYODT-UHFFFAOYSA-N |
| MDL Number | MFCD09040669 |
| Molecular Formula | C7H13F3N2 |
| Molecular Weight | 182.1867 |
| SMILES | FC(CN1CCNCCC1)(F)F |
| Synonyms | 1-(2,2,2-trifluoroethyl)-1,4-diazepane,
926216-03-7,
AC1Q4K7E,
SCHEMBL2360286,
CTK7B7151,
MFCD09040669,
ZINC22920617,
AKOS000127162,
MCULE-4427370981,
NE18400,
BS-13621,
EN300-37126,
Z1270484159,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.19g/mol |
| Monoisotopic Mass | 182.103g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number