| CAS Number | 13082-34-3 |
| Catalog Number | AG01A39W(AGN-PC-0PJBEQ) |
| Chemical Name | 1-Cyclopropyl-2,2,2-trifluoro-1-phenylethan-1-ol |
| IUPAC Name | 1-cyclopropyl-2,2,2-trifluoro-1-phenylethanol |
| InChI | InChI=1S/C11H11F3O/c12-11(13,14)10(15,9-6-7-9)8-4-2-1-3-5-8/h1-5,9,15H,6-7H2 |
| InChI Key | KRHLCHSAMBEJFD-UHFFFAOYSA-N |
| MDL Number | MFCD16068029 |
| Molecular Formula | C11H11F3O |
| Molecular Weight | 216.1996 |
| SMILES | OC(C(F)(F)F)(C1=CC=CC=C1)C1CC1 |
| Synonyms | 1-cyclopropyl-2,2,2-trifluoro-1-phenylethan-1-ol,
13082-34-3,
1-cyclopropyl-1-phenyl-2,2,2-trifluoroethanol,
AKOS010910013,
NE40388,
alpha-(Trifluoromethyl)-alpha-cyclopropylbenzenemethanol,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.203g/mol |
| Monoisotopic Mass | 216.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number