2,3,6-Trifluorobenzaldehyde

C7H3F3OCAS 104451-70-9160.10 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 45 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
104451-70-9
SMILES
C1=CC(=C(C(=C1F)C=O)F)F
InChIKey
XSBAHBVACIKRTG-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F3O/c8-5-1-2-6(9)7(10)4(5)3-11/h1-3H

Weigh it out

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

Work with 2,3,6-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

3-Chloro-2,6-difluorobenzaldehyde190011-87-168 % similar 6-Bromo-2,3-difluorobenzaldehyde360576-04-168 % similar 3-Bromo-2,6-difluorobenzaldehyde398456-82-168 % similar 6-Chloro-2,3-difluorobenzaldehyde797791-33-468 % similar 2,3,5,6-Tetrafluorobenzaldehyde19842-76-364 % similar 2,3-Difluoro-6-methoxybenzaldehyde187543-87-961 % similar (2,4-Difluoro-3-formylphenyl)boronic acid870718-06-261 % similar 2,6-Difluorobenzaldehyde437-81-060 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,5-Ttrifluorobenzaldehyde126202-23-1 3,4,5-Trifluorobenzaldehyde132123-54-7 2,3,4-Trifluorobenzaldehyde161793-17-5 2,4,5-Trifluorobenzaldehyde165047-24-5 2,4,6-Trifluorobenzaldehyde58551-83-0

Elsewhere

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