chempirical

Tetrafluorobenzene-1,3-diol

C6H2F4O2CAS 16840-25-8182.07 g/mol

Open in Covalent MOL file
FFFOHFHO
Aryl halidePhenol

Properties

Molecular formula
C6H2F4O2
Molar mass
182.07 g/mol
Exact mass
181.9991 Da
logP
1.65Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
16840-25-8
SMILES
C1(=C(C(=C(C(=C1F)F)F)O)F)O
InChIKey
NLQBQVXMWOFCAU-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F4O2/c7-1-2(8)5(11)4(10)6(12)3(1)9/h11-12H

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Work with Tetrafluorobenzene-1,3-diol

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

Pentafluorophenol771-61-992 % similar 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol2787-79-352 % similar 2,3,5,6-Tetrafluorophenol769-39-150 % similar Hexafluorobenzene392-56-346 % similar Tetrafluoro-4-hydroxybenzoic acid652-34-646 % similar 2,3,6-Trifluorophenol113798-74-641 % similar 1,2,3,4-Tetrafluoro-5,6-diiodobenzene2708-97-639 % similar Octafluoronaphthalene313-72-438 % similar

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

Same formula

Tetrafluorobenzene-1,2-diol1996-23-2 Tetrafluorohydroquinone771-63-1

Elsewhere

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