chempirical

1-(Pentafluorophenyl)ethanol

C8H5F5OCAS 75853-08-6212.12 g/mol

Open in Covalent MOL file
HOFFFFF
AlcoholAryl halide

Properties

Molecular formula
C8H5F5O
Molar mass
212.12 g/mol
Exact mass
212.0261 Da
Boiling point
80–82 °C (at 37 Torr)
logP
2.44Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
75853-08-6
SMILES
CC(O)c1c(F)c(F)c(F)c(F)c1F
InChIKey
WYUNHWKTLDBPLE-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzenemethanol, 2,3,4,5,6-pentafluoro-α-methyl-
  • Benzyl alcohol, 2,3,4,5,6-pentafluoro-α-methyl-
  • 2,3,4,5,6-Pentafluoro-α-methylbenzenemethanol
  • 2,3,4,5,6-Pentafluoro-α-methylbenzyl alcohol
  • (±)-1-(Pentafluorophenyl)ethanol
  • (RS)-α-Methyl-2,3,4,5,6-pentafluorobenzyl alcohol
  • NSC 97014
  • 1-(2,3,4,5,6-Pentafluorophenyl)ethanol
  • 1-(Pentafluorophenyl)ethan-1-ol

Work with 1-(Pentafluorophenyl)ethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis(pentafluorophenyl)methanol1766-76-350 % similar (-)-1-(4-Fluorophenyl)ethanol101219-73-239 % similar 1-(4-Fluorophenyl)ethanol403-41-839 % similar 2,6-Dichloro-α-methylbenzenemethanol53066-19-639 % similar (αR)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol330156-50-838 % similar (αS)-2,6-Dichloro-3-fluoro-α-methylbenzenemethanol877397-65-438 % similar 2,3,4,5,6-Pentafluoro-α-phenylbenzenemethanol1944-05-437 % similar 2-Fluoro-α-methylbenzenemethanol445-26-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook