2,4,6-Trifluorobenzaldehyde

C7H3F3OCAS 58551-83-0160.10 g/mol

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
58551-83-0
SMILES
C1=C(C=C(C(=C1F)C=O)F)F
InChIKey
KPJIEPBITZLHPQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H

Weigh it out

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

Work with 2,4,6-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

4-Chloro-2,6-difluorobenzaldehyde252004-45-862 % similar 2,6-Difluoro-4-hydroxybenzaldehyde532967-21-862 % similar 4-Bromo-2,6-difluorobenzaldehyde537013-51-762 % similar 2,6-Difluorobenzaldehyde437-81-056 % similar 2,6-Difluoro-4-methoxybenzaldehyde256417-10-455 % similar 2,3,5,6-Tetrafluorobenzaldehyde19842-76-354 % similar 2,4-Difluorobenzaldehyde1550-35-254 % similar 3,5-Difluorobenzaldehyde32085-88-452 % 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 2,4,5-Trifluorobenzaldehyde165047-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook