97913-80-9 Purity
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Specification
The molecular formula of 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is C5H7Cl2F3O.
The molecular weight of 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is 211.01 g/mol.
The IUPAC name of 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is 4,5-dichloro-4,5,5-trifluoropentan-1-ol.
The Canonical SMILES of 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is C(CC(C(F)(F)Cl)(F)Cl)CO.
The InChIKey of 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is GMPNCXVCFYUFOC-UHFFFAOYSA-N.
4,5-Dichloro-4,5,5-trifluoro-1-pentanol has 1 hydrogen bond donor count.
4,5-Dichloro-4,5,5-trifluoro-1-pentanol has 4 hydrogen bond acceptor counts.
The topological polar surface area of 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is 20.2 Å^2.
4,5-Dichloro-4,5,5-trifluoro-1-pentanol has 4 rotatable bond counts.
Yes, 4,5-Dichloro-4,5,5-trifluoro-1-pentanol is considered as a canonicalized compound.