| CAS Number | 1955541-21-5 |
| Catalog Number | AG01B9PS |
| Chemical Name | 3-(difluoromethoxy)cyclobutan-1-amine; trifluoroacetic acid |
| IUPAC Name | 3-(difluoromethoxy)cyclobutan-1-amine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H9F2NO.C2HF3O2/c6-5(7)9-4-1-3(8)2-4;3-2(4,5)1(6)7/h3-5H,1-2,8H2;(H,6,7) |
| InChI Key | PIYYOZZFJHSBQB-UHFFFAOYSA-N |
| MDL Number | MFCD30180296 |
| Molecular Formula | C7H10F5NO3 |
| Molecular Weight | 251.1512 |
| SMILES | NC1CC(OC(F)F)C1.OC(C(F)(F)F)=O |
| Synonyms | 3-(difluoromethoxy)cyclobutan-1-amine, trifluoroacetic acid,
1955541-21-5,
SCHEMBL20241249,
EN300-206580,
3-(difluoromethoxy)cyclobutan-1-amine; trifluoroacetic acid,
3-(difluoromethoxy)cyclobutan-1-amine, trifluoroacetic acid, cis,
1807941-50-9,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.153g/mol |
| Monoisotopic Mass | 251.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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