chempirical

4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol

C8H6F4OCAS 79538-03-7194.13 g/mol

Open in Covalent MOL file
FFOHFF
AlcoholAryl halide

Properties

Molecular formula
C8H6F4O
Molar mass
194.13 g/mol
Exact mass
194.0355 Da
Melting point
50–51 °C
logP
2.04Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
79538-03-7
SMILES
Cc1c(F)c(F)c(CO)c(F)c1F
InChIKey
PJCSTULKVNHEGW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F4O/c1-3-5(9)7(11)4(2-13)8(12)6(3)10/h13H,2H2,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanol, 2,3,5,6-tetrafluoro-4-methyl-
  • 2,3,5,6-Tetrafluoro-4-methylbenzenemethanol
  • 2,3,5,6-Tetrafluoro-4-methylbenzyl alcohol

Work with 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol

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

Pentafluorobenzyl alcohol440-60-867 % similar 2,3,4,5,6-Pentafluorotoluene771-56-252 % similar 2,3,4,5,6-Pentamethylbenzenemethanol484-66-252 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-248 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-141 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-437 % similar 2,6-Difluorobenzenemethanol19064-18-734 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-933 % similar

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

Same formula

4-Fluoro-3-(trifluoromethyl)anisole127271-65-2 5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-0 (1,1,2,2-Tetrafluoroethoxy)benzene350-57-2

Elsewhere

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