4,4'-Oxybis[3-(trifluoromethyl)aniline]

C₁₄H₁₀F₆N₂OCAS 344-48-9336.24 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine

Properties

Molecular formula: C₁₄H₁₀F₆N₂O
Molar mass: 336.24 g/mol
Exact mass: 336.0697 Da
logP: 4.68Crippen estimate
Polar surface area: 61.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

344-48-9

SMILES

C1=CC(=C(C=C1N)C(F)(F)F)OC2=C(C=C(C=C2)N)C(F)(F)F

InChIKey

NKYXYJFTTIPZDE-UHFFFAOYSA-N

InChI

InChI=1S/C14H10F6N2O/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H,21-22H2

Weigh it out

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

Names and synonyms

1 names

4,4'-Oxybis[3-(trifluoromethyl)benzenamine]

Work with 4,4'-Oxybis[3-(trifluoromethyl)aniline]

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′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]94525-05-083 % similar 5-Amino-2-methoxybenzotrifluoride393-15-771 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-262 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-660 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-358 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-456 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-256 % similar 4-Methyl-3-(trifluoromethyl)aniline65934-74-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook