| CAS Number | 1221349-18-3 |
| Catalog Number | AG019RHQ(AGN-PC-0WOVOO) |
| Chemical Name | 3-(Trifluoromethyl)azetidine |
| IUPAC Name | 3-(trifluoromethyl)azetidine |
| InChI | InChI=1S/C4H6F3N/c5-4(6,7)3-1-8-2-3/h3,8H,1-2H2 |
| InChI Key | YWMNMYONCOJLDA-UHFFFAOYSA-N |
| MDL Number | MFCD17480514 |
| Molecular Formula | C4H6F3N |
| Molecular Weight | 125.0923 |
| SMILES | C1C(CN1)C(F)(F)F |
| Synonyms | 3-(trifluoromethyl)azetidine,
1221349-18-3,
AC1Q4JVW,
3-Trifluoromethyl-azetidine,
C4H6F3N,
SCHEMBL3506655,
DTXSID60679130,
2056AJ,
MFCD17480514,
ZINC57219054,
AKOS023166188,
MCULE-2244853678,
BS-12979,
AJ-112855,
EN300-89748,
|
| Complexity | 83.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.094g/mol |
| Monoisotopic Mass | 125.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number