2,4,5-Trifluorobenzaldehyde

C₇H₃F₃OCAS 165047-24-5160.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₃F₃O
Molar mass: 160.10 g/mol
Exact mass: 160.0136 Da
logP: 1.92Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

165047-24-5

SMILES

O=Cc1cc(F)c(F)cc1F

InChIKey

CYIFJRXFYSUBFW-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1-3H

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

Names and synonyms

1 names

Benzaldehyde, 2,4,5-trifluoro-

Work with 2,4,5-Trifluorobenzaldehyde

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

2,5-Difluoro-4-hydroxybenzaldehyde918523-99-665 % similar 2,5-Difluoro-4-methoxybenzaldehyde879093-08-059 % similar 2,4-Difluorobenzaldehyde1550-35-256 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-052 % similar 2-Fluoro-4-hydroxybenzaldehyde348-27-652 % similar 4-Bromo-2-fluorobenzaldehyde57848-46-152 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-552 % similar 2-Fluorobenzaldehyde446-52-650 % similar

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

Same formula

2,3,6-Trifluorobenzaldehyde104451-70-9 2,3,5-Ttrifluorobenzaldehyde126202-23-1 3,4,5-Trifluorobenzaldehyde132123-54-7 2,3,4-Trifluorobenzaldehyde161793-17-5

Elsewhere

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