598-38-9 Purity
96%
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Specification
The molecular formula of 1,1,1-Trifluoro-3-methyl-2-butanol is C5H9F3O.
The molecular weight of 1,1,1-Trifluoro-3-methyl-2-butanol is 142.12 g/mol.
The IUPAC name of 1,1,1-Trifluoro-3-methyl-2-butanol is 1,1,1-trifluoro-3-methylbutan-2-ol.
The Canonical SMILES representation of 1,1,1-Trifluoro-3-methyl-2-butanol is CC(C)C(C(F)(F)F)O.
1,1,1-Trifluoro-3-methyl-2-butanol has 1 hydrogen bond donor count.
The XLogP3-AA value of 1,1,1-Trifluoro-3-methyl-2-butanol is 2.1.
The topological polar surface area of 1,1,1-Trifluoro-3-methyl-2-butanol is 20.2 Ų.
1,1,1-Trifluoro-3-methyl-2-butanol has 1 rotatable bond count.
Yes, 1,1,1-Trifluoro-3-methyl-2-butanol is considered canonical.
1,1,1-Trifluoro-3-methyl-2-butanol was last modified on November 25, 2023.