chempirical

2,3,5,6-Tetrafluorobenzyl alcohol

C7H4F4OCAS 4084-38-2180.10 g/mol

Open in Covalent MOL file
HOFFFF
AlcoholAryl halide

Properties

Molecular formula
C7H4F4O
Molar mass
180.10 g/mol
Exact mass
180.0198 Da
logP
1.74Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
4084-38-2
SMILES
OCc1c(F)c(F)cc(F)c1F
InChIKey
AGWVQASYTKCTCC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c8-4-1-5(9)7(11)3(2-12)6(4)10/h1,12H,2H2

Weigh it out

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

Names and synonyms

4 names
  • Benzenemethanol, 2,3,5,6-tetrafluoro-
  • Benzyl alcohol, 2,3,5,6-tetrafluoro-
  • 2,3,5,6-Tetrafluorobenzenemethanol
  • (2,3,5,6-Tetrafluorophenyl)methanol

Work with 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

2,3,6-Trifluorobenzyl alcohol114152-19-164 % similar Pentafluorobenzyl alcohol440-60-859 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-954 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-354 % similar 2,6-Difluorobenzenemethanol19064-18-750 % similar Pentafluorobenzene363-72-450 % similar 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-748 % similar 2,3,5,6-Tetrafluorophenol769-39-148 % similar

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

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 2,3,5,6-Tetrafluoroanisole2324-98-3 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0 2,3,4,5-Tetrafluorobenzenemethanol53072-18-7 4-Fluoro-3-(trifluoromethyl)phenol61721-07-1

Elsewhere

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