chempirical

2,3,6-Trifluorobenzenemethanamine

C7H6F3NCAS 230295-09-7161.13 g/mol

Open in Covalent MOL file
H2NFFF
Aryl halidePrimary amine

Properties

Molecular formula
C7H6F3N
Molar mass
161.13 g/mol
Exact mass
161.0452 Da
Melting point
280–281 °C
logP
1.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
230295-09-7
SMILES
NCc1c(F)ccc(F)c1F
InChIKey
ITWONDJIBWNPOK-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanamine, 2,3,6-trifluoro-
  • 2,3,6-Trifluorobenzylamine
  • (2,3,6-Trifluorophenyl)methanamine

Work with 2,3,6-Trifluorobenzenemethanamine

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-Difluorobenzylamine69385-30-460 % similar 2-Chloro-3,6-difluorobenzenemethanamine261762-45-257 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-156 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-550 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-950 % similar 1,2,3,4-Tetrafluorobenzene551-62-250 % similar 2,3,6-Trifluorophenylacetic acid114152-23-745 % similar 3,4-Difluorobenzylamine72235-53-145 % similar

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

Same formula

3,4,5-Trifluorobenzenemethanamine235088-69-4 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5 3-(Trifluoromethyl)aniline98-16-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook