| CAS Number | 1429188-77-1 |
| Catalog Number | AG009WPV(AGN-PC-0WO9W4) |
| Chemical Name | 6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)-1,3-octadiene |
| IUPAC Name | (3E)-6,6,7,7,8,8,8-heptafluoro-5,5-bis(trifluoromethyl)octa-1,3-diene |
| InChI | InChI=1S/C10H5F13/c1-2-3-4-5(8(15,16)17,9(18,19)20)6(11,12)7(13,14)10(21,22)23/h2-4H,1H2/b4-3+ |
| InChI Key | PUTFFSRJABOVAD-ONEGZZNKSA-N |
| MDL Number | MFCD28014057 |
| Molecular Formula | C10H5F13 |
| Molecular Weight | 372.1259 |
| SMILES | FC(F)(F)C(F)(F)C(F)(F)C(C=CC=C)(C(F)(F)F)C(F)(F)F |
| Synonyms | 1429188-77-1,
6,6,7,7,8,8,8-Heptafluoro-5,5-bis(trifluoromethyl)-1,3-octadiene,
MFCD28014057,
ZINC97949831,
PC408050,
5,5-Bis(trifluoromethyl)-6,6,7,7,8,8,8-heptafluoroocta-1,3-diene 50g,
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| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 372.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.129g/mol |
| Monoisotopic Mass | 372.018g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.5 |
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Certificate of Analysis
Lot Number