| CAS Number | 131252-25-0 |
| Catalog Number | AG01ES55(AGN-PC-0PJFM5) |
| Chemical Name | 1-(4-ethylphenyl)-2,2,2-trifluoroethan-1-ol |
| IUPAC Name | 1-(4-ethylphenyl)-2,2,2-trifluoroethanol |
| InChI | InChI=1S/C10H11F3O/c1-2-7-3-5-8(6-4-7)9(14)10(11,12)13/h3-6,9,14H,2H2,1H3 |
| InChI Key | YAYBTIUHXFCXFT-UHFFFAOYSA-N |
| MDL Number | MFCD12787383 |
| Molecular Formula | C10H11F3O |
| Molecular Weight | 204.1889 |
| SMILES | CCC1=CC=C(C(C(F)(F)F)O)C=C1 |
| Synonyms | 131252-25-0,
1-(4'-Ethylphenyl)-2,2,2-trifluoroethanol,
SCHEMBL5865851,
AKOS010321272,
4-Ethyl-a-(trifluoromethyl)benzenemethanol,
1-(4-Ethylphenyl)-2,2,2-trifluoroethanol,
CID10262323,
Benzenemethanol, 4-ethyl-a-(trifluoromethyl)-,
1-(4-ethylphenyl)-2,2,2-trifluoro-ethanol,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.192g/mol |
| Monoisotopic Mass | 204.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number