1,2,3,4-Tetrafluoro-5-(trifluoromethyl)benzene

C₇HF₇CAS 654-53-5218.07 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
Boiling point: 102–105.5 °C
logP: 3.26Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

654-53-5

SMILES

Fc1cc(C(F)(F)F)c(F)c(F)c1F

InChIKey

ZWVOHERGWLDGFT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,2,3,4-tetrafluoro-5-(trifluoromethyl)-
Toluene, α,α,α,2,3,4,5-heptafluoro-
2,3,4,5-Tetrafluorobenzotrifluoride
α,α,α,2,3,4,5-Heptafluorotoluene

Work with 1,2,3,4-Tetrafluoro-5-(trifluoromethyl)benzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pentafluorobenzene363-72-455 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-548 % similar 4-Amino-2,5-difluorobenzotrifluoride114973-22-747 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-145 % similar 3-Chloro-4,5-difluorobenzotrifluoride77227-99-744 % similar 1-Bromo-2,3,4,5-tetrafluorobenzene1074-91-543 % similar 2-Fluorobenzotrifluoride392-85-843 % similar 2.3-Difluoro 4-trifluoromethoxyaniline123950-46-942 % similar

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

Elsewhere

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