3-Fluoro-4-(trifluoromethoxy)benzaldehyde

C₈H₄F₄O₂CAS 473917-15-6208.11 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₄F₄O₂
Molar mass: 208.11 g/mol
Exact mass: 208.0147 Da
logP: 2.54Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

473917-15-6

SMILES

C1=CC(=C(C=C1C=O)F)OC(F)(F)F

InChIKey

RQLRUBHAAVGRPW-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O2/c9-6-3-5(4-13)1-2-7(6)14-8(10,11)12/h1-4H

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Work with 3-Fluoro-4-(trifluoromethoxy)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-Fluoro-4-methoxybenzaldehyde351-54-263 % similar 4-Hydroxy-3-(trifluoromethoxy)benzaldehyde53104-95-362 % similar 3,4-Difluorobenzaldehyde34036-07-256 % similar 4-(Trifluoromethoxy)benzaldehyde659-28-956 % similar 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-056 % similar 2,2-Difluoro-5-formylbenzodioxole656-42-856 % similar 3-Fluoro-4-(trifluoromethoxy)phenol177596-38-254 % similar 3-(Trifluoromethoxy)benzaldehyde50823-91-154 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-6 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-7 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-8 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-7 4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-8 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-5 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-1 Methyl 2,3,4,5-tetrafluorobenzoate5292-42-2

Elsewhere

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