| CAS Number | 65948-16-5 |
| Catalog Number | AG01AMXC(AGN-PC-0TIRPH) |
| Chemical Name | 4,4,4-Trifluoro-3-phenylbutan-1-ol |
| IUPAC Name | 4,4,4-trifluoro-3-phenylbutan-1-ol |
| InChI | InChI=1S/C10H11F3O/c11-10(12,13)9(6-7-14)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2 |
| InChI Key | PHGDLNUUBPOOAV-UHFFFAOYSA-N |
| MDL Number | MFCD28039985 |
| Molecular Formula | C10H11F3O |
| Molecular Weight | 204.1889 |
| SMILES | OCCC(C(F)(F)F)C1=CC=CC=C1 |
| Synonyms | 4,4,4-trifluoro-3-phenylbutan-1-ol,
65948-16-5,
SCHEMBL1832214,
PHGDLNUUBPOOAV-UHFFFAOYSA-N,
BBL103847,
STL557657,
AKOS025212323,
rac-4,4,4-trifluoro-3-phenyl-butan-1-ol,
Z2217052415,
3-phenyl-4,4,4-trifluoro-2-butanol,
|
| Complexity | 161 |
| 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 | 3 |
| 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