5-Fluoro-2-(trifluoromethyl)benzaldehyde

C₈H₄F₄OCAS 90381-08-1192.11 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₄F₄O
Molar mass: 192.11 g/mol
Exact mass: 192.0198 Da
logP: 2.66Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers
H411 Toxic to aquatic life with long lasting effects11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

90381-08-1

SMILES

O=Cc1cc(F)ccc1C(F)(F)F

InChIKey

MITVIZWTPVYRDO-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H

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

Names and synonyms

3 names

Benzaldehyde, 5-fluoro-2-(trifluoromethyl)-
5-Fluoro-2-trifluoromethylbenzaldehyde
2-Trifluoromethyl-5-fluorobenzaldehyde

Work with 5-Fluoro-2-(trifluoromethyl)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-Fluoro-2-(trifluoromethyl)benzaldehyde90176-80-074 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-266 % similar 5-Chloro-2-(trifluoromethyl)benzaldehyde90381-07-062 % similar 2,5-Difluorobenzaldehyde2646-90-456 % similar 2-(Trifluoromethyl)benzaldehyde447-61-056 % similar 2,4-Difluorobenzotrifluoride64248-61-953 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-953 % similar 5-Fluorosalicylaldehyde347-54-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7 2,2,2,4′-Tetrafluoroacetophenone655-32-3

Elsewhere

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