3,5-Bis(trifluoromethyl)benzene

C₈H₄F₆CAS 402-31-3214.11 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

402-31-3

SMILES

FC(F)(F)c1cccc(C(F)(F)F)c1

InChIKey

SJBBXFLOLUTGCW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Benzene, 1,3-bis(trifluoromethyl)-
m-Xylene, α,α,α,α′,α′,α′-hexafluoro-
1,3-Bis(trifluoromethyl)benzene
3-(Trifluoromethyl)benzotrifluoride
α,α,α,α′,α′,α′-Hexafluoro-m-xylene
m-Bis(trifluoromethyl)benzene
m-(Trifluoromethyl)benzotrifluoride
1,3-Di(trifluoromethyl)benzene
SRS 500
NSC 10342
H 0585

Work with 3,5-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

1-(Trichloromethyl)-3-(trifluoromethyl)benzene16766-90-873 % similar 3-Fluorobenzotrifluoride401-80-971 % similar 3-Chlorobenzotrifluoride98-15-768 % similar 1-Bromo-3-(trifluoromethyl)benzene401-78-565 % similar 1-Methyl-3-(trifluoromethyl)benzene401-79-665 % similar 1-Iodo-3-(trifluoromethyl)benzene401-81-065 % similar 3-(Trifluoromethyl)aniline98-16-865 % similar 3-(Trifluoromethyl)phenol98-17-965 % similar

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

Same formula

1,4-Bis(trifluoromethyl)benzene433-19-2 1,2-Bis(trifluoromethyl)benzene433-95-4

Elsewhere

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