2-Amino-4,6-difluorophenol

C₆H₅F₂NOCAS 133788-83-7145.11 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

133788-83-7

SMILES

C1=C(C=C(C(=C1N)O)F)F

InChIKey

STHCPCIXAKDNOP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Amino-4,6-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

2,4,6-Trifluorophenol2268-17-967 % similar 1,2-Diamino-3,5-difluorobenzene2369-29-157 % similar 2,3,5-Trifluoroaniline363-80-457 % similar 2-Chloro-3,5-difluoroaniline36556-60-253 % similar 2-Bromo-4,6-difluorophenol98130-56-453 % similar 2-Amino-6-fluorophenol53981-25-250 % similar 2-Amino-4,6-difluorobenzoic acid126674-77-949 % similar 2,4-Difluoroaniline367-25-948 % 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 4-Amino-2,3-difluorophenol163733-99-1

Elsewhere

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