2,3,5,6-Tetrafluorobenzotrifluoride

C₇HF₇CAS 651-80-9218.07 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇HF₇
Molar mass: 218.07 g/mol
Exact mass: 217.9966 Da
logP: 3.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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

651-80-9

SMILES

C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F

InChIKey

ZVPAJILXQHMKMT-UHFFFAOYSA-N

InChI

InChI=1S/C7HF7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h1H

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Names and synonyms

1 names

Benzene, 1,2,4,5-tetrafluoro-3-(trifluoromethyl)-

Work with 2,3,5,6-Tetrafluorobenzotrifluoride

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

3,4,5-Trifluorobenzotrifluoride80172-04-958 % similar Perfluorotoluene434-64-057 % similar Pentafluorobenzene363-72-452 % similar 1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-052 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-150 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-748 % similar 4-Bromo-2,6-difluorobenzotrifluoride156243-64-048 % similar 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride17823-46-048 % similar

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

Same formula

1,2,3,4-Tetrafluoro-5-(trifluoromethyl)benzene654-53-5

Elsewhere

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