chempirical

1,1,1-Trifluoro-2-methyl-2-propanol

C4H7F3OCAS 507-52-8128.09 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

Properties

Molecular formula
C4H7F3O
Molar mass
128.09 g/mol
Exact mass
128.0449 Da
Density
1.1903 g/mL (at 22.5 °C)
Melting point
20.75 °C
Boiling point
81 °C
logP
1.32Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
507-52-8
SMILES
CC(C)(O)C(F)(F)F
InChIKey
OCGWWLDZAFOHGD-UHFFFAOYSA-N
InChI
InChI=1S/C4H7F3O/c1-3(2,8)4(5,6)7/h8H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names
  • 2-Propanol, 1,1,1-trifluoro-2-methyl-
  • 1-Trifluoromethylisopropanol
  • 2-(Trifluoromethyl)-2-propanol
  • 2,2,2-Trifluoro-1,1-dimethylethanol
  • 2-Hydroxy-2-trifluoromethylpropane
  • Trifluoro-tert-butyl alcohol
  • NSC 3633
  • 2-Methyl-1,1,1-trifluoropropan-2-ol

Work with 1,1,1-Trifluoro-2-methyl-2-propanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pinacol76-09-553 % similar Chlorobutanol57-15-840 % similar Nonafluoro-tert-butyl alcohol2378-02-139 % similar 1,1,1,4,4,4-Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol918-21-839 % similar Perfluorobutane355-25-935 % similar Octafluoropropane76-19-735 % similar 1,1,1-Trichloro-2-methyl-2-propanol hemihydrate6001-64-535 % similar 3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid114715-77-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4,4-Trifluoro-1-butanol461-18-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook