2,2,4,4-Tetrafluoro-4H-benzo[d][1,3]dioxin-6-amine

C₈H₅F₄NO₂CAS 25854-59-5223.13 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Primary amine

Properties

Molecular formula: C₈H₅F₄NO₂
Molar mass: 223.13 g/mol
Exact mass: 223.0256 Da
logP: 2.28Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

25854-59-5

SMILES

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

InChIKey

ZENKESXKWBIZCV-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F4NO2/c9-7(10)5-3-4(13)1-2-6(5)14-8(11,12)15-7/h1-3H,13H2

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Names and synonyms

1 names

2,2,4,4-Tetrafluoro-6-amino-1,3-benzodioxene

Work with 2,2,4,4-Tetrafluoro-4H-benzo[d][1,3]dioxin-6-amine

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

5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-059 % similar 4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-949 % similar 5-Amino-2-methoxybenzotrifluoride393-15-745 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]94525-05-045 % similar 3-Fluoro-4-(trifluoromethoxy)aniline1017779-69-944 % similar 3-Bromo-4-(trifluoromethoxy)aniline191602-54-741 % similar 3-Chloro-4-(trifluoromethoxy)aniline64628-73-541 % similar 4-Methyl-3-(trifluoromethyl)aniline65934-74-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,2,3,3-Tetrafluoro-1,4-benzodioxin-6-amine89586-07-2

Elsewhere

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