4-Amino-3-fluorophenol

C₆H₆FNOCAS 399-95-1127.12 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₆FNO
Molar mass: 127.12 g/mol
Exact mass: 127.0433 Da
Melting point: 139 °C
logP: 1.11Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

399-95-1

SMILES

Nc1ccc(O)cc1F

InChIKey

MNPLTKHJEAFOCA-UHFFFAOYSA-N

InChI

InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2

Weigh it out

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

Names and synonyms

3 names

Phenol, 4-amino-3-fluoro-
3-Fluoro-4-aminophenol
2-Fluoro-4-hydroxyaniline

Work with 4-Amino-3-fluorophenol

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

3,4-Difluorophenol2713-33-960 % similar 4-Bromo-2-fluoroaniline367-24-857 % similar 2,4-Difluoroaniline367-25-956 % similar 4-Bromo-3-fluorophenol121219-03-252 % similar 4-Amino-3-chlorophenol17609-80-252 % similar 4-Amino-3-methylphenol2835-99-652 % similar 2-Fluoro-4-iodoaniline29632-74-452 % similar 4-Chloro-3-fluorophenol348-60-752 % similar

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

Same formula

2-Fluoro-6-methoxypyridine116241-61-3 2-Fluoro-3-pyridinemethanol131747-55-2 5-Fluoro-3-pyridinemethanol22620-32-2 3-Fluoro-2-pyridinemethanol31181-79-0 2-Amino-4-fluorophenol399-97-3 2-Amino-5-fluorophenol53981-24-1 2-Amino-6-fluorophenol53981-25-2 3-Amino-4-fluorophenol62257-16-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook