1-(Trifluoromethoxy)-4-(trifluoromethyl)benzene

C8H4F6OCAS 80258-33-9230.11 g/mol

Open in Covalent MOL file
FFFOFFF
Alkyl halideEther

Properties

Molecular formula
C8H4F6O
Molar mass
230.11 g/mol
Exact mass
230.0166 Da
logP
3.60Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
80258-33-9
SMILES
C1=CC(=CC=C1C(F)(F)F)OC(F)(F)F
InChIKey
PNJSCLOFYSBUMK-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F6O/c9-7(10,11)5-1-3-6(4-2-5)15-8(12,13)14/h1-4H

Weigh it out

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

Names and synonyms

1 names
  • 4-(Trifluoromethoxy)benzotrifluoride

Work with 1-(Trifluoromethoxy)-4-(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

1-Fluoro-4-(trifluoromethoxy)benzene352-67-058 % similar 1,4-Bis(trifluoromethyl)benzene433-19-257 % similar (Trifluoromethoxy)benzene456-55-356 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-656 % similar 4-(Trifluoromethoxy)thiophenol169685-29-456 % similar 1-Methoxy-4-(trifluoromethyl)benzene402-52-856 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-756 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Bis(trifluoromethyl)phenol349-58-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook