2,4,6-Trifluorophenol

C₆H₃F₃OCAS 2268-17-9148.08 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₃F₃O
Molar mass: 148.08 g/mol
Exact mass: 148.0136 Da
logP: 1.81Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

2268-17-9

SMILES

Oc1c(F)cc(F)cc1F

InChIKey

QQFWMPUXPLBWTG-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

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Names and synonyms

1 names

Phenol, 2,4,6-trifluoro-

Work with 2,4,6-Trifluorophenol

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-Bromo-4,6-difluorophenol98130-56-467 % similar 4-Bromo-2,6-difluorophenol104197-13-957 % similar 4-Amino-2,6-difluorophenol126058-97-757 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-556 % similar 2,4-Difluoro-6-nitrophenol364-31-855 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 2,6-Difluorophenol28177-48-250 % similar 2,6-Dibromo-4-fluorophenol344-20-750 % similar

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

Same formula

2,3,6-Trifluorophenol113798-74-6 3,4,5-Trifluorophenol99627-05-1

Elsewhere

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