chempirical

4,4′-[[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis[benzenamine]

C27H20F6N2O2CAS 69563-88-8518.46 g/mol

Open in Covalent MOL file
H2NOOH2NFFFFFF
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C27H20F6N2O2
Molar mass
518.46 g/mol
Exact mass
518.1429 Da
logP
7.85Crippen estimate
Polar surface area
70.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
69563-88-8
SMILES
Nc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIKey
HHLMWQDRYZAENA-UHFFFAOYSA-N
InChI
InChI=1S/C27H20F6N2O2/c28-26(29,30)25(27(31,32)33,17-1-9-21(10-2-17)36-23-13-5-19(34)6-14-23)18-3-11-22(12-4-18)37-24-15-7-20(35)8-16-24/h1-16H,34-35H2

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Names and synonyms

10 names
  • Benzenamine, 4,4′-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
  • 2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane
  • 4,4′-Hexafluoroisopropylidenebis(p-phenyleneoxy)dianiline
  • 4,4′-[4,4′-(Perfluoropropane-2,2-diyl)bis(4,1-phenyleneoxy)]dianiline
  • 2,2′-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane
  • 2,2-Bis[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropane
  • Bis(4-(4-aminophenoxy)phenyl)hexafluoropropane
  • 4,4′-(Hexafluoroisopropylidene)bis[(4-aminophenoxy)benzene]
  • GI-530159
  • HFBAPP

Work with 4,4′-[[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis[benzenamine]

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

4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[benzenamine]1095-78-977 % similar 4,4'-Oxydianiline101-80-458 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[benzenamine]3491-12-158 % similar 2,2-Bis[4-(4-aminophenoxy)phenyl]propane13080-86-956 % similar 1,3,5-Tris(4-aminophenoxy)benzene (135tapob)102852-92-652 % similar 4,4'-Bis(4-aminophenoxy)biphenyl13080-85-852 % similar (4-Aminophenoxy)benzene139-59-350 % similar 4-(4-Chlorophenoxy)benzenamine101-79-147 % similar

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

Elsewhere

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