chempirical

2,3,4-Trifluorophenol

C6H3F3OCAS 2822-41-5148.08 g/mol

Open in Covalent MOL file
HOFFF
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
2822-41-5
SMILES
C1=CC(=C(C(=C1O)F)F)F
InChIKey
IJGSULQFKYOYEU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3F3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H

Weigh it out

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

Work with 2,3,4-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

1,2,3,4-Tetrafluorobenzene551-62-263 % similar 4-Bromo-2,3-difluorophenol144292-32-054 % similar 4-Amino-2,3-difluorophenol163733-99-154 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-350 % similar 2,3-Difluoro-4-hydroxybenzonitrile126162-38-748 % similar 2,3-Difluoro-4-methoxyphenol261763-29-548 % similar 2,3,4-Trifluorobenzyl alcohol144284-24-246 % similar 2,3,4-Trifluorobenzaldehyde161793-17-546 % similar

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

Same formula

2,3,6-Trifluorophenol113798-74-6 2,3,5-Trifluorophenol2268-15-7 2,4,5-Trifluorophenol2268-16-8 2,4,6-Trifluorophenol2268-17-9 3,4,5-Trifluorophenol99627-05-1

Elsewhere

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