2,3,5,6-Tetrafluorobenzotrifluoride

C7HF7CAS 651-80-9218.07 g/mol

Open in Covalent MOL file
FFFFFFF
Alkyl halideAryl halide

Properties

Molecular formula
C7HF7
Molar mass
218.07 g/mol
Exact mass
217.9966 Da
logP
3.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 44 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
651-80-9
SMILES
C1=C(C(=C(C(=C1F)F)C(F)(F)F)F)F
InChIKey
ZVPAJILXQHMKMT-UHFFFAOYSA-N
InChI
InChI=1S/C7HF7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h1H

Weigh it out

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

Names and synonyms

1 names
  • Benzene, 1,2,4,5-tetrafluoro-3-(trifluoromethyl)-

Work with 2,3,5,6-Tetrafluorobenzotrifluoride

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

3,4,5-Trifluorobenzotrifluoride80172-04-958 % similar Perfluorotoluene434-64-057 % similar Pentafluorobenzene363-72-452 % similar 1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-052 % similar 2,2′,3,3′,5,5′,6,6′-Octafluoro-1,1′-biphenyl3883-86-150 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-748 % similar 4-Bromo-2,6-difluorobenzotrifluoride156243-64-048 % similar 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride17823-46-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,2,3,4-Tetrafluoro-5-(trifluoromethyl)benzene654-53-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook