1,4-Bis(trifluoromethyl)benzene

C₈H₄F₆CAS 433-19-2214.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₄F₆
Molar mass: 214.11 g/mol
Exact mass: 214.0217 Da
Boiling point: 116 °C
logP: 3.72Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

433-19-2

SMILES

FC(F)(F)c1ccc(C(F)(F)F)cc1

InChIKey

PDCBZHHORLHNCZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H

Weigh it out

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

Names and synonyms

9 names

Benzene, 1,4-bis(trifluoromethyl)-
p-Xylene, α,α,α,α′,α′,α′-hexafluoro-
α,α,α,α′,α′,α′-Hexafluoro-p-xylene
p-Bis(trifluoromethyl)benzene
p-Trifluoromethylbenzotrifluoride
1,4-Di(trifluoromethyl)benzene
NSC 61992
p-Xylene hexafluoride
PTF-TFM

Work with 1,4-Bis(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

4-Fluorobenzotrifluoride402-44-871 % similar Trifluorotoluene98-08-869 % similar 1-Bromo-4-(trifluoromethyl)benzene402-43-767 % similar 4-(Trifluoromethyl)phenol402-45-967 % similar 1-Iodo-4-(trifluoromethyl)benzene455-13-067 % similar 4-(Trifluoromethyl)aniline455-14-167 % similar 1-Methyl-4-(trifluoromethyl)benzene6140-17-667 % similar Parachlorobenzotrifluoride98-56-667 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzene402-31-3 1,2-Bis(trifluoromethyl)benzene433-95-4

Elsewhere

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