chempirical

1,1,1-Trifluoro-2-propanol

C3H5F3OCAS 374-01-6114.07 g/mol

Open in Covalent MOL file
HOFFF
AlcoholAlkyl halide

Properties

Molecular formula
C3H5F3O
Molar mass
114.07 g/mol
Exact mass
114.0292 Da
Density
1.2709 g/mL (at 16 °C)
Melting point
−52 °C
Boiling point
75.5 °C
logP
0.93Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
374-01-6
SMILES
CC(O)C(F)(F)F
InChIKey
GILIYJDBJZWGBG-UHFFFAOYSA-N
InChI
InChI=1S/C3H5F3O/c1-2(7)3(4,5)6/h2,7H,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Propanol, 1,1,1-trifluoro-
  • 1-Methyl-2,2,2-trifluoroethanol
  • 1,1,1-Trifluoropropane-2-ol
  • NSC 3637
  • 1,1,1-Trifluoroisopropanol
  • 1-(Trifluoromethyl)ethanol

Work with 1,1,1-Trifluoro-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

3,3,4,4,4-Pentafluoro-2-butanol374-40-352 % similar Pinacolyl alcohol464-07-347 % similar 2,2,2-Trifluoro-1,1-ethanediol421-53-444 % similar Hexafluoro-2-propanol920-66-144 % similar Trifluoroacetaldehyde methyl hemiacetal431-46-939 % similar 1,1,1-Trifluoro-2-propanamine421-49-838 % similar Trifluoroacetaldehyde ethyl hemiacetal433-27-235 % similar (S)-1,1,1-Trifluoroisopropylamine hydrochloride125353-44-833 % similar

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

Same formula

Poly(difluoromethylene), α-fluoro-ω-(2-hydroxyethyl)-65530-60-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook