| CAS Number | 2396-11-4 |
| Catalog Number | AG01FOHM(AGN-PC-0WC8TQ) |
| Chemical Name | 1-Fluoro-4-(pentafluoroethyl)benzene |
| IUPAC Name | 1-fluoro-4-(1,1,2,2,2-pentafluoroethyl)benzene |
| InChI | InChI=1S/C8H4F6/c9-6-3-1-5(2-4-6)7(10,11)8(12,13)14/h1-4H |
| InChI Key | DJHARCGVOBGLKI-UHFFFAOYSA-N |
| MDL Number | MFCD16140153 |
| Molecular Formula | C8H4F6 |
| Molecular Weight | 214.1078 |
| SMILES | Fc1ccc(cc1)C(C(F)(F)F)(F)F |
| Synonyms | 1-fluoro-4-(pentafluoroethyl)benzene,
2396-11-4,
BBL101285,
STL555081,
ZINC77011106,
AKOS005257913,
Z-1746,
4-fluoro(pentafluoroethyl)benzene,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.11g/mol |
| Monoisotopic Mass | 214.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number