chempirical

2,4,6-Trifluorobenzamide

C7H4F3NOCAS 82019-50-9175.11 g/mol

Open in Covalent MOL file
FONH2FF
AmideAryl halide

Properties

Molecular formula
C7H4F3NO
Molar mass
175.11 g/mol
Exact mass
175.0245 Da
logP
1.20Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

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
82019-50-9
SMILES
C1=C(C=C(C(=C1F)C(=O)N)F)F
InChIKey
HZPJPMSPYIODNA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F3NO/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H2,11,12)

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Work with 2,4,6-Trifluorobenzamide

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-Difluorobenzamide132980-99-559 % similar 2,4,6-Trifluorobenzoic acid28314-80-953 % similar 2',4',6'-Trifluoroacetophenone51788-77-353 % similar 2,4,6-Trifluorobenzoyl chloride79538-29-753 % similar 2-Amino-4,6-difluorobenzoic acid126674-77-949 % similar 4-Fluorobenzamide824-75-948 % similar 2-Amino-6-fluorobenzamide115643-59-947 % similar 3-Fluoro-5-(trifluoromethyl)benzamide207986-20-747 % similar

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

Same formula

3-(Trifluoromethyl)pyridine-2-carboxaldehyde131747-62-1 2,3,4-Trifluorobenzamide207919-09-3 2,3,6-Trifluorobenzamide207986-22-9 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-5 2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one33284-21-8 6-(Trifluoromethyl)pyridine-3-carboxaldehyde386704-12-7 3,4,5-Trifluorobenzamide78324-75-1 2,4,5-Trifluorobenzamide98349-23-6

Elsewhere

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