| CAS Number | 101066-63-1 |
| Catalog Number | AG009NNJ(AGN-PC-003AQX) |
| Chemical Name | Ethanone, 1-cyclopentyl-2,2,2-trifluoro- (9CI) |
| IUPAC Name | 1-cyclopentyl-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C7H9F3O/c8-7(9,10)6(11)5-3-1-2-4-5/h5H,1-4H2 |
| InChI Key | RLJGNALMBCVVLZ-UHFFFAOYSA-N |
| MDL Number | MFCD07380747 |
| Molecular Formula | C7H9F3O |
| Molecular Weight | 166.1410 |
| SMILES | C1(CCCC1)C(C(F)(F)F)=O |
| Synonyms | 1-cyclopentyl-2,2,2-trifluoroethan-1-one,
101066-63-1,
Ethanone, 1-cyclopentyl-2,2,2-trifluoro- (9CI),
SCHEMBL9011610,
CTK7F4492,
ZINC8700960,
AKOS012259360,
NE21027,
1-CYCLOPENTYL-2,2,2-TRIFLUORO-ETHANONE,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.143g/mol |
| Monoisotopic Mass | 166.061g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number