| CAS Number | 1401425-82-8 |
| Catalog Number | AG01B22U(AGN-PC-0WC2MY) |
| Chemical Name | 3-(2-fluoroethoxy)azetidine; trifluoroacetic acid |
| IUPAC Name | 3-(2-fluoroethoxy)azetidine;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C5H10FNO.C2HF3O2/c6-1-2-8-5-3-7-4-5;3-2(4,5)1(6)7/h5,7H,1-4H2;(H,6,7) |
| InChI Key | GCDCXUXCBSGDSX-UHFFFAOYSA-N |
| MDL Number | MFCD22415176 |
| Molecular Formula | C7H11F4NO3 |
| Molecular Weight | 233.1608 |
| SMILES | OC(C(F)(F)F)=O.FCCOC1CNC1 |
| Synonyms | 1401425-82-8,
3-(2-Fluoroethoxy)azetidine trifluoroacetate salt,
3-(2-fluoroethoxy)azetidine, trifluoroacetic acid,
AKOS030236587,
3-(2-fluoroethoxy)azetidine; trifluoroacetic acid,
A1-02781,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.163g/mol |
| Monoisotopic Mass | 233.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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