2,2,5-Trifluoro-1,3-benzodioxole

C₇H₃F₃O₂CAS 656-43-9176.09 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃F₃O₂
Molar mass: 176.09 g/mol
Exact mass: 176.0085 Da
Boiling point: 128–129 °C
logP: 2.15Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

656-43-9

SMILES

Fc1ccc2c(c1)OC(F)(F)O2

InChIKey

SNHQSYSJSWODIQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H

Weigh it out

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

Names and synonyms

3 names

1,3-Benzodioxole, 2,2,5-trifluoro-
Benzene, 1,2-[(difluoromethylene)dioxy]-4-fluoro-
2,2,5-Trifluoro-1,3-dioxaindane

Work with 2,2,5-Trifluoro-1,3-benzodioxole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-057 % similar 5-Bromo-2,2-difluorobenzodioxole33070-32-557 % similar 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-557 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-154 % similar 2,2-Difluoro-5-formylbenzodioxole656-42-852 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-349 % similar 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-249 % similar 2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5-Trifluorobenzoic acid121602-93-5 2,3,6-Trifluorobenzoic acid2358-29-4 2,4,6-Trifluorobenzoic acid28314-80-9 2,4,5-Trifluorobenzoic acid446-17-3 2,3,4-Trifluorobenzoic acid61079-72-9 2,3,5-Trifluorobenzoic acid654-87-5

Elsewhere

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