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

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

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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

2,2,5-Trifluoro-1,3-benzodioxole656-43-957 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-152 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-347 % similar 2,2-Difluoro-1,3-benzodioxole-5-carboxylic acid656-46-247 % similar 2,2-Difluoro-1,3-benzodioxole-5-acetonitrile68119-31-346 % similar Benzodioxol-5-amine14268-66-745 % similar 1,4-Benzodioxan-6-amine22013-33-845 % similar 2,2-Difluorobenzodioxole-5-carboxylic acid methyl ester773873-95-345 % 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 3-Amino-2,6-difluorobenzoic acid83141-11-1

Elsewhere

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