3-Fluoro-4-(trifluoromethyl)aniline

C₇H₅F₄NCAS 69411-68-3179.12 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅F₄N
Molar mass: 179.12 g/mol
Exact mass: 179.0358 Da
logP: 2.43Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

69411-68-3

SMILES

Nc1ccc(C(F)(F)F)c(F)c1

InChIKey

CRRVZRDISHOQQL-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 3-fluoro-4-(trifluoromethyl)-
3-Fluoro-4-(trifluoromethyl)benzenamine
4-Amino-2-fluorobenzotrifluoride
3-Fluoro-4-trifluoromethylphenylamine

Work with 3-Fluoro-4-(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-Chloro-4-trifluoromethylaniline445-13-658 % similar 3,4-Difluoroaniline3863-11-456 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-755 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-453 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-253 % similar 4-Amino-2,5-difluorobenzotrifluoride114973-22-752 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-649 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]94525-05-049 % similar

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

Same formula

2-Amino-6-fluorobenzotrifluoride123973-22-8 2-Fluoro-3-(trifluoromethyl)aniline123973-25-1 2-Fluoro-6-(trifluoromethyl)aniline144851-61-6 4-Fluoro-3-(trifluoromethyl)aniline2357-47-3 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-5-trifluoromethylaniline454-67-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook