2,3,5,6-Tetrafluoro-P-xylene

C₈H₆F₄CAS 703-87-7178.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₆F₄
Molar mass: 178.13 g/mol
Exact mass: 178.0406 Da
logP: 2.86Crippen 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

703-87-7

SMILES

CC1=C(C(=C(C(=C1F)F)C)F)F

InChIKey

IWKPBYPUIPVYNZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F4/c1-3-5(9)7(11)4(2)8(12)6(3)10/h1-2H3

Weigh it out

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Work with 2,3,5,6-Tetrafluoro-P-xylene

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

2,3,4,5,6-Pentafluorotoluene771-56-292 % similar 4,4'-Dimethyloctafluorobiphenyl26475-18-379 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-456 % similar 4-Methyl-2,3,5,6-tetrafluorobenzyl alcohol79538-03-755 % similar 2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-448 % similar Hexafluorobenzene392-56-342 % similar Hexamethylbenzene87-85-442 % similar 1-Bromo-2,4-difluoro-3-methylbenzene221220-97-936 % similar

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

Same formula

1,4-Bis(difluoromethyl)benzene369-54-0 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene80245-26-7

Elsewhere

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