2,4-Bis(trifluoromethyl)aniline

C₈H₅F₆NCAS 367-71-5229.13 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₈H₅F₆N
Molar mass: 229.13 g/mol
Exact mass: 229.0326 Da
logP: 3.31Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

367-71-5

SMILES

C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)N

InChIKey

UIWVOUBVGBJRNP-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F6N/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3H,15H2

Weigh it out

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

Work with 2,4-Bis(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

3,4-Diaminobenzotrifluoride368-71-869 % similar 3,3'-Bis(trifluoromethyl)benzidine346-88-367 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-664 % similar 4-Fluoro-2-(trifluoromethyl)aniline393-39-562 % similar 2-Fluoro-4-(trifluoromethyl)aniline69409-98-962 % similar 2-Iodo-4-(trifluoromethyl)aniline163444-17-560 % similar 2-Chloro-4-trifluoromethylaniline39885-50-260 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-360 % similar

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

Same formula

3,5-Bis(trifluoromethyl)benzenamine328-74-5 2,5-Bis(trifluoromethyl)aniline328-93-8

Elsewhere

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