chempirical

2,3,6-Trifluorophenol

C6H3F3OCAS 113798-74-6148.08 g/mol

Open in Covalent MOL file
FHOFF
Aryl halidePhenol

Properties

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

Identifiers

CAS number
113798-74-6
SMILES
C1=CC(=C(C(=C1F)O)F)F
InChIKey
QSFGUSFDWCVXNR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H

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Work with 2,3,6-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

2,3,5,6-Tetrafluorophenol769-39-159 % similar 1,2,3,4-Tetrafluorobenzene551-62-258 % similar 2,6-Difluorophenol28177-48-255 % similar 3-Fluoro-1,2-benzenediol363-52-046 % similar Tetrafluorohydroquinone771-63-145 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-144 % similar 2-Bromo-6-fluorophenol2040-89-344 % similar 2-Chloro-6-fluorophenol2040-90-644 % similar

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

Same formula

2,4,6-Trifluorophenol2268-17-9 3,4,5-Trifluorophenol99627-05-1

Elsewhere

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