5-Amino-2,4-difluorophenol

C6H5F2NOCAS 113512-71-3145.11 g/mol

Open in Covalent MOL file
HOFFNH2
Aryl halidePhenolPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
113512-71-3
SMILES
C1=C(C(=CC(=C1O)F)F)N
InChIKey
CXADAFQCFSVRGN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F2NO/c7-3-1-4(8)6(10)2-5(3)9/h1-2,10H,9H2

Weigh it out

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

Work with 5-Amino-2,4-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

5-Amino-2-chloro-4-fluorophenol84478-72-864 % similar 2,4,5-Trifluorophenol2268-16-861 % similar 2,4,5-Trifluoroaniline367-34-061 % similar 5-Bromo-2,4-difluorophenol355423-48-250 % similar 5-Bromo-2,4-difluoroaniline452-92-650 % similar 4-Amino-3-fluorophenol399-95-148 % similar 4-Amino-2-fluorophenol399-96-248 % similar 3-Amino-4-fluorophenol62257-16-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-2,5-difluorophenol120103-19-7 4-Amino-2,6-difluorophenol126058-97-7 2-Amino-4,6-difluorophenol133788-83-7 4-Amino-2,3-difluorophenol163733-99-1

Elsewhere

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