5-Amino-2,2-difluoro-1,3-benzodioxole

C₇H₅F₂NO₂CAS 1544-85-0173.12 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Primary amine

Properties

Molecular formula: C₇H₅F₂NO₂
Molar mass: 173.12 g/mol
Exact mass: 173.0288 Da
logP: 1.59Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed14.3% of notifiers
H312 Harmful in contact with skin16.3% of notifiers
H315 Causes skin irritation18.4% of notifiers
H319 Causes serious eye irritation20.4% of notifiers
H332 Harmful if inhaled16.3% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

1544-85-0

SMILES

C1=CC2=C(C=C1N)OC(O2)(F)F

InChIKey

CVYQRDKVWVBOFP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2NO2/c8-7(9)11-5-2-1-4(10)3-6(5)12-7/h1-3H,10H2

Weigh it out

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

Names and synonyms

1 names

2,2-Difluoro-5-aminobenzodioxole

Work with 5-Amino-2,2-difluoro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3-Tetrafluoro-1,4-benzodioxin-6-amine89586-07-271 % similar 2,2,4,4-Tetrafluoro-4H-benzo[d][1,3]dioxin-6-amine25854-59-559 % similar 2,2,5-Trifluoro-1,3-benzodioxole656-43-957 % similar 5-Bromo-2,2-difluorobenzodioxole33070-32-555 % similar 5-Chloro-2,2-difluoro-1,3-benzodioxole72769-08-555 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-152 % similar 3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-952 % similar 2,2-Difluoro-5-formylbenzodioxole656-42-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-4 2-Amino-4,6-difluorobenzoic acid126674-77-9 2-Amino-3,5-difluorobenzoic acid126674-78-0 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-0 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-4 4-Amino-2,3-difluorobenzoic acid194804-85-8 1,3-Difluoro-2-methyl-4-nitrobenzene79562-49-5 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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