2,2-Bis(3-aminophenyl)hexafluoropropane

C15H12F6N2CAS 47250-53-3334.27 g/mol

Open in Covalent MOL file
H2NNH2FFFFFF
Alkyl halidePrimary amine

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
47250-53-3
SMILES
C1=CC(=CC(=C1)N)C(C2=CC(=CC=C2)N)(C(F)(F)F)C(F)(F)F
InChIKey
UVUCUHVQYAPMEU-UHFFFAOYSA-N
InChI
InChI=1S/C15H12F6N2/c16-14(17,18)13(15(19,20)21,9-3-1-5-11(22)7-9)10-4-2-6-12(23)8-10/h1-8H,22-23H2

Weigh it out

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Work with 2,2-Bis(3-aminophenyl)hexafluoropropane

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-(Trifluoromethyl)aniline98-16-864 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-753 % similar M-Phenylenediamine108-45-248 % similar 4,4′-[[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis[benzenamine]69563-88-847 % similar 2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane116325-74-746 % similar 2,2′-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane83558-87-646 % similar 3-[(Trifluoromethyl)thio]benzenamine369-68-645 % similar 3-Fluoroaniline372-19-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4'-(Hexafluoroisopropylidene)dianiline1095-78-9

Elsewhere

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