3-Fluoro-4-(trifluoromethyl)benzaldehyde

C₈H₄F₄OCAS 204339-72-0192.11 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄F₄O
Molar mass: 192.11 g/mol
Exact mass: 192.0198 Da
logP: 2.66Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

204339-72-0

SMILES

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

InChIKey

ZVIQXFUBNNGOJY-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-4H

Weigh it out

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

Work with 3-Fluoro-4-(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

3,4-Difluorobenzaldehyde34036-07-260 % similar 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-657 % similar 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-154 % similar 3-Fluoro-4-iodobenzaldehyde1003709-57-653 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-553 % similar 3-Fluoro-4-methylbenzaldehyde177756-62-653 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-053 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-753 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0 2,2,2,3′-Tetrafluoroacetophenone708-64-5

Elsewhere

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