4-Amino-2-fluorophenol

C₆H₆FNOCAS 399-96-2127.12 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
logP: 1.11Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
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

399-96-2

SMILES

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

InChIKey

MXJQJURZHQZLNN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

Phenol, 4-amino-2-fluoro-

Work with 4-Amino-2-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-Difluoroaniline3863-11-460 % similar 2,4-Difluorophenol367-27-156 % similar 4-Amino-2,6-difluorophenol126058-97-752 % similar 4-Amino-2-bromophenol16750-67-752 % similar 4-Bromo-2-fluorophenol2105-94-452 % similar 5-Amino-2-hydroxytoluene2635-95-252 % similar 2-Fluoro-4-iodophenol2713-28-252 % similar 4-Amino-2-methylphenol2835-96-352 % 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 4-Amino-3-fluorophenol399-95-1 2-Amino-4-fluorophenol399-97-3 2-Methoxy-5-fluoropyridine51173-04-7 2-Amino-3-fluorophenol53981-23-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook