chempirical

3-Fluoro-5-(trifluoromethyl)benzamide

C8H5F4NOCAS 207986-20-7207.13 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
207986-20-7
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)N
InChIKey
BBUBHNZCRQRAQG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F4NO/c9-6-2-4(7(13)14)1-5(3-6)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 3-Fluoro-5-(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

3,5-Difluorobenzamide132980-99-568 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-865 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone207974-20-759 % similar 4-(Trifluoromethyl)benzamide1891-90-353 % similar 3-Fluoro-5-trifluoromethylaniline454-67-152 % similar 3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-447 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-647 % similar 4-Fluorobenzamide824-75-947 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzamide144851-59-2 2-Fluoro-3-(trifluoromethyl)benzamide207853-60-9 2-Fluoro-4-(trifluoromethyl)benzamide207853-64-3 2-Fluoro-5-(trifluoromethyl)benzamide207919-05-9 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-0 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-5

Elsewhere

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