543-49-7 Purity
99%+
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of 1,1,1-Trifluoro-2-butanol is C4H7F3O.
The molecular weight of 1,1,1-Trifluoro-2-butanol is 128.09 g/mol.
The IUPAC name of 1,1,1-Trifluoro-2-butanol is 1,1,1-trifluorobutan-2-ol.
The InChI of 1,1,1-Trifluoro-2-butanol is InChI=1S/C4H7F3O/c1-2-3(8)4(5,6)7/h3,8H,2H2,1H3.
The InChIKey of 1,1,1-Trifluoro-2-butanol is IBWNUWSYEJOUAH-UHFFFAOYSA-N.
The canonical SMILES of 1,1,1-Trifluoro-2-butanol is CCC(C(F)(F)F)O.
The CAS number of 1,1,1-Trifluoro-2-butanol is 431-36-7.
The European Community (EC) number of 1,1,1-Trifluoro-2-butanol is 691-794-3.
The XLogP3-AA value of 1,1,1-Trifluoro-2-butanol is 1.6.
Yes, 1,1,1-Trifluoro-2-butanol is a canonicalized compound.