CAS 868405-66-7 (2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol (HCID 16655948)

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Basic information

CAS: 868405-66-7
Standard SMILES: O[C@@H](CCl)CNc1ccc(N2CCOCC2)c(F)c1
InChIKey: NQGHQKBSPVNNDS-NSHDSACASA-N
Molecular formula: C13H18ClFN2O2
Average molar mass: 288.74 g/mol

Names & identifiers

Preferred name: (2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol
IUPAC: (2R)-1-chloro-3-(3-fluoro-4-morpholin-4-ylanilino)propan-2-ol
English name: Linezolid Impurity 8
Molecular formula: C13H18ClFN2O2
Molecular weight: 288.75

Names & synonyms

868405-66-7(2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanolSGY4BA844BSCHEMBL2867969NQGHQKBSPVNNDS-NSHDSACASA-NN-(3-Chloro-2-(R)-hydroxypropyl)-3-fluoro-4-morpholinylanilinen-[3-chloro-2-(r) -hydroxypropyl]-3-fluoro-4-morpholinyl anilineN-[3-Chloro-2-(R)-hydroxypropyl]-3-fluoro-4-morpholinyl aniline(R)-1-Chloro-3-[[3-fluoro-4-(morpholin-4-yl)phenyl]amino]propan-2-ol1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol, (2R)-N-(3-Chloro-(2R)-2-hydroxypropyl)-3-fluoro-4-(4-morpholinyl)anilineN-[3-chloro-2-(R)-hydroxypropyl]-3-fluoro-4-(4-morpholinyl)aniline

Show more names

Linezolid Impurity 8Linezolid Impurity1325(R)-1-Chloro-3-((3-fluoro-4-morpholinophenyl)amino)propan-2-olN-[3-chloro-2-(R)-hydroxypropyl]-3-fluoro-4-(morpholin-4-yl)aniline

2-Propanol, 1-chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-, (2R)-

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 267

Physicochemical properties

Boiling point: 488.5 · 488.5±45.0 °C(Predicted)
Density: 1.32 · 1.320±0.06 g/cm3(Predicted)
pka: 13.48 · 13.48±0.20(Predicted)

Chemistry & industry

Applications · 1 item

Uses(2R)-1-Chloro-3-[[3-fluoro-4-(4-morpholinyl)phenyl]amino]-2-propanol is an intermediate in synthesizing N-[(2S)-3-Amino-2-hydroxypropyl]-N-[3-fluoro-4-(4-morpholinyl)phenyl] Acetamide Hydrochloride (A609075), one of the major thermal degradation products of Linezolid (L466500). Linezolid impurity.