2-Fluoro-5-(trifluoromethoxy)benzaldehyde

C₈H₄F₄O₂CAS 886497-81-0208.11 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₄F₄O₂
Molar mass: 208.11 g/mol
Exact mass: 208.0147 Da
logP: 2.54Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H227 Combustible liquid20% of notifiers
H302 Harmful if swallowed20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number

886497-81-0

SMILES

O=Cc1cc(OC(F)(F)F)ccc1F

InChIKey

FMDGCHMPSCBYFX-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O2/c9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h1-4H

Weigh it out

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

Names and synonyms

2 names

Benzaldehyde, 2-fluoro-5-(trifluoromethoxy)-
2-Fluoro-5-trifluoromethoxybenzaldehyde

Work with 2-Fluoro-5-(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

2-Hydroxy-5-(trifluoromethoxy)benzaldehyde93249-62-865 % similar 2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-063 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-361 % similar 4-(Trifluoromethoxy)benzaldehyde659-28-954 % similar 2-Fluoro-3-trifluoromethoxy aniline116369-23-454 % similar 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-254 % similar 1-Bromo-2-fluoro-5-(trifluoromethoxy)benzene286932-57-854 % similar 3-(Trifluoromethoxy)benzaldehyde50823-91-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-6 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-7 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-8 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-7 4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-8 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-5 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-1 3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-6

Elsewhere

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