1,3,5-Trifluoro-2-(trifluoromethyl)benzene

C7H2F6CAS 122030-04-0200.08 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halide

Properties

Molecular formula
C7H2F6
Molar mass
200.08 g/mol
Exact mass
200.0061 Da
logP
3.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
122030-04-0
SMILES
Fc1cc(F)c(C(F)(F)F)c(F)c1
InChIKey
SGPXFVDJRSZIPK-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F6/c8-3-1-4(9)6(5(10)2-3)7(11,12)13/h1-2H

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 1,3,5-trifluoro-2-(trifluoromethyl)-
  • 2,4,6-Trifluorobenzo trifluoride
  • 2,4,6-Trifluoro-1-(trifluoromethyl)benzene

Work with 1,3,5-Trifluoro-2-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-760 % similar 4-Bromo-2,6-difluorobenzotrifluoride156243-64-060 % similar 2,3,5,6-Tetrafluorobenzotrifluoride651-80-952 % similar 2,4-Difluorobenzotrifluoride64248-61-952 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-448 % similar 1,2,3,5-Tetrafluorobenzene2367-82-048 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-446 % similar 2,4,6-Trifluorophenylboronic acid182482-25-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5-Trifluorobenzotrifluoride80172-04-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook