2-(Trifluoromethoxy)benzaldehyde

C8H5F3O2CAS 94651-33-9190.12 g/mol

Open in Covalent MOL file
OOFFF
AldehydeAlkyl halideEther

Properties

Molecular formula
C8H5F3O2
Molar mass
190.12 g/mol
Exact mass
190.0242 Da
logP
2.40Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 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
94651-33-9
SMILES
C1=CC=C(C(=C1)C=O)OC(F)(F)F
InChIKey
CPHXLFKIUVVIOQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O2/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H

Weigh it out

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

Work with 2-(Trifluoromethoxy)benzaldehyde

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-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-560 % similar 5-Bromo-2-(trifluoromethoxy)benzaldehyde923281-52-157 % similar 2-Trifluoromethoxy-4-methoxybenzaldehyde886503-52-257 % similar 2-(Difluoromethoxy)benzaldehyde71653-64-056 % similar 2-Methoxybenzaldehyde135-02-455 % similar 2,2-Difluoro-benzo(1,3)dioxole-4-carbaldehyde119895-68-054 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-553 % similar 2-Phenoxybenzaldehyde19434-34-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Trifluoro-3-methylbenzoic acid112822-85-2 2,3,6-Trifluorophenylacetic acid114152-23-7 2-Methyl-3,4,6-trifluoro benzoic acid119916-22-2 2,3,5-Trifluorophenylacetic acid132992-28-0 3,4,5-Trifluorophenylacetic acid209991-62-8 2,4,6-Trifluorobenzeneacetic acid209991-63-9 2,4,5-Trifluorophenylacetic acid209995-38-0 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-5

Elsewhere

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