chempirical

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol

C7HF7OCAS 2787-79-3234.07 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halidePhenol

Properties

Molecular formula
C7HF7O
Molar mass
234.07 g/mol
Exact mass
233.9916 Da
logP
2.97Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
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
2787-79-3
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)C(F)(F)F
InChIKey
HZQGKHUTYHEFBT-UHFFFAOYSA-N
InChI
InChI=1S/C7HF7O/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H

Weigh it out

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Work with 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenol

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

Perfluorotoluene434-64-065 % similar Tetrafluorohydroquinone771-63-158 % similar Pentafluorophenol771-61-955 % similar 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride17823-46-054 % similar Tetrafluorobenzene-1,3-diol16840-25-852 % similar 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride651-83-252 % similar 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenethiol651-84-352 % similar [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine1868-85-548 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook