2,3,4,5-Tetrafluorobenzenemethanol

C₇H₄F₄OCAS 53072-18-7180.10 g/mol

Open in Covalent MOL file

Alcohol Aryl halide

Properties

Molecular formula: C₇H₄F₄O
Molar mass: 180.10 g/mol
Exact mass: 180.0198 Da
Boiling point: 107–109 °C (at 22 Torr)
logP: 1.74Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

53072-18-7

SMILES

OCc1cc(F)c(F)c(F)c1F

InChIKey

HLUZGUMMQYQHKJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1,12H,2H2

Weigh it out

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

Names and synonyms

3 names

Benzenemethanol, 2,3,4,5-tetrafluoro-
2,3,4,5-Tetrafluorobenzyl alcohol
(2,3,4,5-Tetrafluorophenyl)methanol

Work with 2,3,4,5-Tetrafluorobenzenemethanol

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

Pentafluorobenzene363-72-452 % similar 2,3-Difluorobenzyl alcohol75853-18-850 % similar 2,4-Difluorobenzenemethanol56456-47-445 % similar 2,5-Difluorobenzenemethanol75853-20-245 % similar 2-Fluorobenzyl alcohol446-51-545 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-143 % similar 4-Chloro-2-fluorobenzenemethanol56456-49-642 % similar 5-Bromo-2-fluorobenzenemethanol99725-13-042 % 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 2,3,5,6-Tetrafluoroanisole2324-98-3 1-Fluoro-4-(trifluoromethoxy)benzene352-67-0 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-2 4-Fluoro-3-(trifluoromethyl)phenol61721-07-1

Elsewhere

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