2,3,5,6-Tetrafluorophenol

C₆H₂F₄OCAS 769-39-1166.07 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₂F₄O
Molar mass: 166.07 g/mol
Exact mass: 166.0042 Da
Melting point: 38 °C
Boiling point: 140 °C
logP: 1.95Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

769-39-1

SMILES

Oc1c(F)c(F)cc(F)c1F

InChIKey

PBYIIRLNRCVTMQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H

Weigh it out

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

Names and synonyms

3 names

Phenol, 2,3,5,6-tetrafluoro-
1,2,4,5-Tetrafluoro-3-hydroxybenzene
NSC 88309

Work with 2,3,5,6-Tetrafluorophenol

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

2,3,6-Trifluorophenol113798-74-659 % similar Pentafluorobenzene363-72-458 % similar Tetrafluorohydroquinone771-63-156 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-755 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-155 % similar 3,4,5-Trifluorophenol99627-05-155 % similar Pentafluorophenol771-61-953 % similar 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-248 % similar

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

Elsewhere

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