chempirical

2,4,6-Trifluorobenzylamine

C7H6F3NCAS 214759-21-4161.13 g/mol

Open in Covalent MOL file
FH2NFF
Aryl halidePrimary amine

Properties

Molecular formula
C7H6F3N
Molar mass
161.13 g/mol
Exact mass
161.0452 Da
logP
1.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
214759-21-4
SMILES
C1=C(C=C(C(=C1F)CN)F)F
InChIKey
RCHOKTKXVKKNBC-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2

Weigh it out

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

Names and synonyms

1 names
  • 2,4,6-Trifluorobenzyl amine

Work with 2,4,6-Trifluorobenzylamine

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

2,6-Difluorobenzylamine69385-30-456 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-954 % similar 2,4,6-Trifluorobenzyl bromide151411-98-254 % similar 2,4-Difluorobenzylamine72235-52-054 % similar 3,5-Difluorobenzylamine90390-27-552 % similar 2,4,6-Trifluorophenylacetonitrile220227-80-548 % similar 2,5-Difluorobenzenemethanamine85118-06-548 % similar 2-Bromo-1,3,5-trifluorobenzene2367-76-248 % similar

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

Same formula

2,4,5-Trifluorobenzyl amine168644-93-7 2,3,6-Trifluorobenzenemethanamine230295-09-7 2,3,4-Trifluorobenzylamine235088-67-2 3,4,5-Trifluorobenzenemethanamine235088-69-4 (2,3,5-Trifluorophenyl)methanamine244022-72-8 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5 3-(Trifluoromethyl)aniline98-16-8

Elsewhere

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