chempirical

2-Fluoro-3-(trifluoromethyl)benzamide

C8H5F4NOCAS 207853-60-9207.13 g/mol

Open in Covalent MOL file
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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
207853-60-9
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)N
InChIKey
UHMUBYIIPNQHGD-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F4NO/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H2,13,14)

Weigh it out

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

Work with 2-Fluoro-3-(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-3-(trifluoromethyl)benzoic acid115029-22-662 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one207853-63-262 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-762 % similar 2-Fluoro-3-(trifluoromethyl)benzophenone207853-70-159 % similar 3-Chloro-2-fluorobenzamide104326-94-558 % similar Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, sodium salt (1:1)1701446-41-457 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone207986-23-057 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-150 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzamide144851-59-2 2-Fluoro-4-(trifluoromethyl)benzamide207853-64-3 2-Fluoro-5-(trifluoromethyl)benzamide207919-05-9 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-0 3-Fluoro-5-(trifluoromethyl)benzamide207986-20-7 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-5

Elsewhere

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