chempirical

2-Fluoro-4-(trifluoromethyl)benzamide

C8H5F4NOCAS 207853-64-3207.13 g/mol

Open in Covalent MOL file
FFFFONH2
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
207853-64-3
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)C(=O)N
InChIKey
BQNZIRSNAKWERJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F4NO/c9-6-3-4(8(10,11)12)1-2-5(6)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-4-(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-4-(trifluoromethyl)benzoic acid115029-24-864 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-464 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-064 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-161 % similar 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-459 % similar 4-(Trifluoromethyl)benzamide1891-90-355 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-253 % similar 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-253 % 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-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

PubChem CAS Common Chemistry NIST WebBook