chempirical

2-Fluoro-6-(trifluoromethyl)benzamide

C8H5F4NOCAS 144851-59-2207.13 g/mol

Open in Covalent MOL file
FONH2FFF
Alkyl halideAmideAryl halide

Properties

Molecular formula
C8H5F4NO
Molar mass
207.13 g/mol
Exact mass
207.0307 Da
logP
1.94Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
144851-59-2
SMILES
C1=CC(=C(C(=C1)F)C(=O)N)C(F)(F)F
InChIKey
BYQGJCJJFXIYHC-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F4NO/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H2,13,14)

Weigh it out

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

Work with 2-Fluoro-6-(trifluoromethyl)benzamide

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-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-562 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-162 % similar 2-Amino-6-fluorobenzamide115643-59-958 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-549 % similar 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-249 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-549 % similar 2-Fluorobenzotrifluoride392-85-848 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-346 % similar

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

Same formula

4-Fluoro-2-(trifluoromethyl)benzamide207919-06-0 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-5

Elsewhere

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