chempirical

3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde

C8H3ClF4OCAS 186517-29-3226.55 g/mol

Open in Covalent MOL file
FFFOFCl
AldehydeAlkyl halideAryl halide

Properties

Molecular formula
C8H3ClF4O
Molar mass
226.55 g/mol
Exact mass
225.9809 Da
logP
3.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
186517-29-3
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C=O)F)Cl
InChIKey
WTVMLHFHFBCCBP-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-3H

Weigh it out

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Work with 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde

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

4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-653 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-050 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzamide186517-42-047 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-446 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-046 % similar 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-143 % similar 2-Chloro-6-fluorobenzaldehyde387-45-142 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-342 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-5 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-0 3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-4 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-4 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6

Elsewhere

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