3,5-Difluorobenzaldehyde

C₇H₄F₂OCAS 32085-88-4142.10 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₇H₄F₂O
Molar mass: 142.10 g/mol
Exact mass: 142.0230 Da
logP: 1.78Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

32085-88-4

SMILES

O=Cc1cc(F)cc(F)c1

InChIKey

ASOFZHSTJHGQDT-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2O/c8-6-1-5(4-10)2-7(9)3-6/h1-4H

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

Names and synonyms

1 names

Benzaldehyde, 3,5-difluoro-

Work with 3,5-Difluorobenzaldehyde

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-5-methylbenzaldehyde189628-39-568 % similar 3-Fluorobenzaldehyde456-48-463 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-661 % similar 3,4,5-Trifluorobenzaldehyde132123-54-758 % similar 5-Fluoronicotinaldehyde39891-04-858 % similar 4-Fluorobenzaldehyde459-57-457 % similar 3,5-Difluoro-4-hydroxybenzaldehyde118276-06-554 % similar 1,3,5-Trifluorobenzene372-38-350 % similar

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

Same formula

2,4-Difluorobenzaldehyde1550-35-2 2,3-Difluorobenzaldehyde2646-91-5 3,4-Difluorobenzaldehyde34036-07-2 2,6-Difluorobenzaldehyde437-81-0

Elsewhere

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