| CAS Number | 1339671-20-3 |
| Catalog Number | AG00HT40(AGN-PC-0WQXMC) |
| Chemical Name | 2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-one |
| IUPAC Name | 2,2,2-trifluoro-1-(oxan-4-yl)ethanone |
| InChI | InChI=1S/C7H9F3O2/c8-7(9,10)6(11)5-1-3-12-4-2-5/h5H,1-4H2 |
| InChI Key | ZKBKZMQILQCSSC-UHFFFAOYSA-N |
| MDL Number | MFCD19611803 |
| Molecular Formula | C7H9F3O2 |
| Molecular Weight | 182.1404 |
| SMILES | FC(C(C1CCOCC1)=O)(F)F |
| Synonyms | 1339671-20-3,
2,2,2-trifluoro-1-(tetrahydro-2h-pyran-4-yl)ethanone,
2,2,2-trifluoro-1-(oxan-4-yl)ethan-1-one,
SCHEMBL18988346,
4-(Trifluoroacetyl)tetrahydropyran,
MFCD19611803,
ZINC68956714,
AKOS013252381,
AS-32963,
F2147-5181,
2,2,2-trifluoro-1-(tetrahydro-2H-pyran-4-yl)ethan-1-one,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.142g/mol |
| Monoisotopic Mass | 182.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number