| CAS Number | 1909305-36-7 |
| Catalog Number | AG01C41D |
| Chemical Name | 3-(2,2-difluoroethyl)azetidine; trifluoroacetic acid |
| IUPAC Name | 3-(2,2-difluoroethyl)azetidine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H9F2N.C2HF3O2/c6-5(7)1-4-2-8-3-4;3-2(4,5)1(6)7/h4-5,8H,1-3H2;(H,6,7) |
| InChI Key | AMEASHQTDSJCTI-UHFFFAOYSA-N |
| MDL Number | MFCD29762970 |
| Molecular Formula | C7H10F5NO2 |
| Molecular Weight | 235.1518 |
| SMILES | OC(C(F)(F)F)=O.FC(CC1CNC1)F |
| Synonyms | 1909305-36-7,
3-(2,2-difluoroethyl)azetidine; trifluoroacetic acid,
3-(2,2-difluoroethyl)azetidine,trifluoroacetic acid,
3-(2,2-difluoroethyl)azetidine, trifluoroacetic acid,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.154g/mol |
| Monoisotopic Mass | 235.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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