3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde

C₉H₆F₄O₂CAS 35295-35-3222.14 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₉H₆F₄O₂
Molar mass: 222.14 g/mol
Exact mass: 222.0304 Da
logP: 2.74Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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

35295-35-3

SMILES

O=Cc1cccc(OC(F)(F)C(F)F)c1

InChIKey

LAFOZKQZOGJYKC-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F4O2/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h1-5,8H

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 3-(1,1,2,2-tetrafluoroethoxy)-

Work with 3-(1,1,2,2-Tetrafluoroethoxy)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

3-(Trifluoromethoxy)benzaldehyde50823-91-167 % similar 3-(Trifluoromethoxy)benzaldehyde52771-21-867 % similar 3-(Difluoromethoxy)benzaldehyde85684-61-359 % similar 1-Methyl-3-(1,1,2,2-tetrafluoroethoxy)benzene1737-10-656 % similar 3-(1,1,2,2-Tetrafluoroethoxy)benzenamine831-75-456 % similar (1,1,2,2-Tetrafluoroethoxy)benzene350-57-254 % similar 3-Methoxybenzaldehyde591-31-154 % similar 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2H-tetrafluorobenzoate122894-73-9 2-Fluoro-6-(trifluoromethyl)phenylacetic acid179946-32-8 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-1 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-4 4-Fluoro-3-(trifluoromethyl)benzeneacetic acid220227-47-4 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-1 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-4

Elsewhere

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