chempirical

2,5-Difluorobenzaldehyde

C7H4F2OCAS 2646-90-4142.10 g/mol

Open in Covalent MOL file
FOF
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
2646-90-4
SMILES
C1=CC(=C(C=C1F)C=O)F
InChIKey
VVVOJODFBWBNBI-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O/c8-6-1-2-7(9)5(3-6)4-10/h1-4H

Weigh it out

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

Work with 2,5-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

2-Fluoro-5-iodobenzaldehyde146137-76-060 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-960 % similar 5-Fluorosalicylaldehyde347-54-660 % similar 2-Chloro-5-fluorobenzaldehyde84194-30-960 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-560 % similar 2-Bromo-5-fluorobenzaldehyde94569-84-360 % similar 2,3,5-Ttrifluorobenzaldehyde126202-23-157 % similar 4-Fluoro-2-hydroxybenzaldehyde348-28-757 % 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 3,5-Difluorobenzaldehyde32085-88-4 3,4-Difluorobenzaldehyde34036-07-2 2,6-Difluorobenzaldehyde437-81-0

Elsewhere

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