3-Fluoro-5-trifluoromethylaniline

C₇H₅F₄NCAS 454-67-1179.12 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

454-67-1

SMILES

Nc1cc(F)cc(C(F)(F)F)c1

InChIKey

WQKQODZOQAFYPR-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F4N/c8-5-1-4(7(9,10)11)2-6(12)3-5/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-5-(trifluoromethyl)-
3-Fluoro-5-(trifluoromethyl)benzenamine
3-Amino-5-fluorobenzotrifluoride
(3-Fluoro-5-trifluoromethylphenyl)amine

Work with 3-Fluoro-5-trifluoromethylaniline

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

3,5-Bis(trifluoromethyl)benzenamine328-74-571 % similar 3,5-Diaminobenzotrifluoride368-53-671 % similar 3,5-Difluoroaniline372-39-458 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-357 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-857 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-653 % similar 3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-453 % similar 3-Methoxy-5-(trifluoromethyl)aniline349-55-352 % 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 4-Fluoro-3-(trifluoromethyl)aniline2357-47-3 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

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