chempirical

1-Fluoro-4-(trifluoromethoxy)benzene

C7H4F4OCAS 352-67-0180.10 g/mol

Open in Covalent MOL file
FOFFF
Alkyl halideAryl halideEther

Properties

Molecular formula
C7H4F4O
Molar mass
180.10 g/mol
Exact mass
180.0198 Da
Density
1.323 g/mL (at 20 °C)
Boiling point
104–105 °C
logP
2.72Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
352-67-0
SMILES
Fc1ccc(OC(F)(F)F)cc1
InChIKey
JULMJGDXANEQDP-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-fluoro-4-(trifluoromethoxy)-
  • Anisole, p,α,α,α-tetrafluoro-
  • 4-Fluorophenyl trifluoromethyl ether
  • 4-(Trifluoromethoxy)fluorobenzene
  • 4-Fluoro-α,α,α-trifluoroanisole
  • 4-Fluoro(trifluoromethoxy)benzene
  • α,α,α,4-Tetrafluoroanisole
  • 4-Trifluoromethoxyphenyl fluoride
  • 4-Trifluoromethoxy-1-fluorobenzene

Work with 1-Fluoro-4-(trifluoromethoxy)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

(Trifluoromethoxy)benzene456-55-358 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-658 % similar 1-Bromo-4-(trifluoromethoxy)benzene407-14-758 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-458 % similar 4-(Trifluoromethoxy)aniline461-82-558 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-958 % similar 4-(Trifluoromethoxy)phenol828-27-358 % similar 1,1′-Oxybis[4-fluorobenzene]330-93-852 % similar

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

Same formula

3-(Trifluoromethoxy)fluorobenzene1077-01-6 4-Fluoro-2-(trifluoromethyl)phenol130047-19-7 2-Fluoro-5-(trifluoromethyl)phenol141483-15-0 2,3,5,6-Tetrafluoroanisole2324-98-3 2,3,5,6-Tetrafluorobenzyl alcohol4084-38-2 2,3,4,5-Tetrafluorobenzenemethanol53072-18-7 4-Fluoro-3-(trifluoromethyl)phenol61721-07-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook