3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde

C₈H₃ClF₄OCAS 261763-02-4226.55 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

261763-02-4

SMILES

O=Cc1cc(C(F)(F)F)cc(Cl)c1F

InChIKey

MSZTVIFIFJCNRQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF4O/c9-6-2-5(8(11,12)13)1-4(3-14)7(6)10/h1-3H

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 3-chloro-2-fluoro-5-(trifluoromethyl)-
2-Fluoro-3-chloro-5-trifluoromethylbenzaldehyde
3-Chloro-5-trifluoromethyl-2-fluorobenzaldehyde

Work with 3-Chloro-2-fluoro-5-(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

3,5-Dichloro-4-fluorobenzotrifluoride77227-81-765 % similar 3-Chloro-4,5-difluorobenzotrifluoride77227-99-757 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-054 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-051 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-551 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid129931-45-950 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-247 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-647 % 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 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2

Elsewhere

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