2,2,3,3-Tetrafluoro-2,3-dihydro-1,4-benzodioxine

C₈H₄F₄O₂CAS 94767-47-2208.11 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₄F₄O₂
Molar mass: 208.11 g/mol
Exact mass: 208.0147 Da
logP: 2.64Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

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

Aggregated from the 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

94767-47-2

SMILES

C1=CC=C2C(=C1)OC(C(O2)(F)F)(F)F

InChIKey

QLCDBPBUHSKXHY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,2,3,3-Tetrafluorobenzodioxene

Work with 2,2,3,3-Tetrafluoro-2,3-dihydro-1,4-benzodioxine

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

2,2-Difluoro-1,3-benzodioxole1583-59-162 % similar 1,2-Bis(1,1,2,2-tetrafluoroethoxy)benzene4063-48-352 % similar 6-Hydroxy-2,2,3,3-tetrafluoro-1,4-benzodioxane103467-50-152 % similar 6-Bromo-2,2,3,3-tetrafluoro-1,4-benzodioxan141872-90-452 % similar 2,2,3,3-Tetrafluoro-1,4-benzodioxin-6-amine89586-07-252 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-546 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-444 % similar 2-Trifluoromethoxyaniline1535-75-743 % 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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