chempirical

2,2-Bis(3-amino-4-methylphenyl)hexafluoropropane

C17H16F6N2CAS 116325-74-7362.32 g/mol

Open in Covalent MOL file
H2NFFFFFFNH2
Alkyl halidePrimary amine

Properties

Molecular formula
C17H16F6N2
Molar mass
362.32 g/mol
Exact mass
362.1218 Da
logP
4.88Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
116325-74-7
SMILES
CC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)C)N)(C(F)(F)F)C(F)(F)F)N
InChIKey
HJSYPLCSZPEDCQ-UHFFFAOYSA-N
InChI
InChI=1S/C17H16F6N2/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12/h3-8H,24-25H2,1-2H3

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Work with 2,2-Bis(3-amino-4-methylphenyl)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

1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[3,4-dimethylbenzene]65294-20-467 % similar 2,2′-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane83558-87-659 % similar 2-Methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]benzenamine238098-26-553 % similar 5-Fluoro-2-methylaniline367-29-348 % similar 1,1′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[4-methylbenzene]1095-77-847 % similar 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[benzenamine]1095-78-947 % similar 2,5-Xylidine95-78-347 % similar 5-Iodo-2-methylaniline83863-33-645 % similar

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

Elsewhere

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