4-Amino-2,3-difluorophenol

C₆H₅F₂NOCAS 163733-99-1145.11 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₅F₂NO
Molar mass: 145.11 g/mol
Exact mass: 145.0339 Da
logP: 1.25Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

163733-99-1

SMILES

Nc1ccc(O)c(F)c1F

InChIKey

LYFMJLYBTMEYDV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F2NO/c7-5-3(9)1-2-4(10)6(5)8/h1-2,10H,9H2

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

Names and synonyms

1 names

Phenol, 4-amino-2,3-difluoro-

Work with 4-Amino-2,3-difluorophenol

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

2,3,4-Trifluoroaniline3862-73-554 % similar 4-Bromo-2,3-difluorobenzenamine112279-72-850 % similar 2-Amino-4-fluorophenol399-97-348 % similar 2-Amino-5-fluorophenol53981-24-148 % similar 2.3-Difluoro 4-trifluoromethoxyaniline123950-46-947 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-845 % similar 2,3-Difluoro-4-hydroxybenzonitrile126162-38-745 % similar 4-Amino-3-fluorophenol399-95-143 % similar

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

Same formula

5-Amino-2,4-difluorophenol113512-71-3 4-Amino-2,5-difluorophenol120103-19-7 4-Amino-2,6-difluorophenol126058-97-7 2-Amino-4,6-difluorophenol133788-83-7

Elsewhere

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