| CAS Number | 1443983-84-3 |
| Catalog Number | AG01C2SV |
| Chemical Name | 3-(Fluoromethyl)azetidine trifluoroacetic acid |
| IUPAC Name | 3-(fluoromethyl)azetidine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C4H8FN.C2HF3O2/c5-1-4-2-6-3-4;3-2(4,5)1(6)7/h4,6H,1-3H2;(H,6,7) |
| InChI Key | GEKBIXJKXKSUDP-UHFFFAOYSA-N |
| MDL Number | MFCD29055124 |
| Molecular Formula | C6H9F4NO2 |
| Molecular Weight | 203.1348 |
| SMILES | FCC1CNC1.O=C(O)C(F)(F)F |
| Synonyms | 1443983-84-3,
3-(fluoromethyl)azetidine; trifluoroacetic acid,
SCHEMBL15019572,
GEKBIXJKXKSUDP-UHFFFAOYSA-N,
SB13819,
3-(fluoromethyl)azetidine,trifluoroacetic acid,
3-(fluoromethyl)azetidine, trifluoroacetic acid,
3-(fluoromethyl)azetidine 2,2,2-trifluoroacetate,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.137g/mol |
| Monoisotopic Mass | 203.057g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number