chempirical

4,4'-(Hexafluoroisopropylidene)dianiline

C15H12F6N2CAS 1095-78-9334.27 g/mol

Open in Covalent MOL file
NH2H2NFFFFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C15H12F6N2
Molar mass
334.27 g/mol
Exact mass
334.0905 Da
Melting point
197 °C
logP
4.26Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1095-78-9
SMILES
Nc1ccc(C(c2ccc(N)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIKey
BEKFRNOZJSYWKZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8H,22-23H2

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Names and synonyms

9 names
  • 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[benzenamine]
  • Benzenamine, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-
  • Aniline, 4,4′-[trifluoro-1-(trifluoromethyl)ethylidene]di-
  • Aniline, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di-
  • 4,4′-(Hexafluoroisopropylidene)dianiline
  • 2,2-Bis(4-aminophenyl)hexafluoropropane
  • BIS-A-AF
  • Hexafluoroisopropylidene-4,4′-dianiline
  • 2,2-Bis(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropane

Work with 4,4'-(Hexafluoroisopropylidene)dianiline

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(4,1-phenyleneoxy)]bis[benzenamine]69563-88-877 % similar 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol722-92-959 % similar 4-(Trifluoromethyl)aniline455-14-158 % similar 1,1'-(2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4-methylbenzene)1095-77-854 % similar Bisphenol AF1478-61-154 % similar 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine]60532-63-052 % similar 4-(Trifluoromethyl)aniline hydrochloride90774-69-952 % similar 2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane116325-74-747 % similar

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

Same formula

2,2-Bis(3-aminophenyl)hexafluoropropane47250-53-3

Elsewhere

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