chempirical

2,3,6-Trifluoroaniline

C6H4F3NCAS 67815-56-9147.10 g/mol

Open in Covalent MOL file
FH2NFF
Aryl halidePrimary amine

Properties

Molecular formula
C6H4F3N
Molar mass
147.10 g/mol
Exact mass
147.0296 Da
logP
1.69Crippen estimate
Polar surface area
26.0 Ų
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
67815-56-9
SMILES
C1=CC(=C(C(=C1F)N)F)F
InChIKey
RGUGZPYYMOAJLO-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2

Weigh it out

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

Work with 2,3,6-Trifluoroaniline

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

2,3,5,6-Tetrafluorobenzenamine700-17-459 % similar 1,2,3,4-Tetrafluorobenzene551-62-258 % similar 2,6-Difluoroaniline5509-65-955 % similar 2,3,4,6-Tetrafluorobenzenamine363-73-554 % similar 2,3-Difluoro-6-nitroaniline211693-73-152 % similar 2-Bromo-3,4-difluoroaniline1092349-87-546 % similar 2,3-Difluoroaniline4519-40-846 % similar 1,2,3-Trifluorobenzene1489-53-845 % similar

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

Same formula

3,4,5-Trifluorobenzenamine163733-96-8 2,3,5-Trifluoroaniline363-80-4 2,4,6-Trifluorobenzenamine363-81-5 2,4,5-Trifluoroaniline367-34-0 2-(Trifluoromethyl)pyridine368-48-9 3-(Trifluoromethyl)pyridine3796-23-4 4-(Trifluoromethyl)pyridine3796-24-5 2,3,4-Trifluoroaniline3862-73-5

Elsewhere

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