chempirical

Florfenicol

C12H14Cl2FNO4SCAS 76639-94-6358.21 g/mol

Open in Covalent MOL file
SOOOHFHNOClCl
AlcoholAlkyl halideSulfone

Properties

Molecular formula
C12H14Cl2FNO4S
Molar mass
358.21 g/mol
Exact mass
357.0005 Da
Melting point
153–154 °C
logP
2.22Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
76639-94-6
SMILES
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CF)N=C(O)C(Cl)Cl)cc1
InChIKey
AYIRNRDRBQJXIF-NXEZZACHSA-N
InChI
InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1

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Names and synonyms

13 names · show all
  • Acetamide, 2,2-dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-
  • Acetamide, 2,2-dichloro-N-[1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]-, [R-(R*,S*)]-
  • 2,2-Dichloro-N-[(1S,2R)-1-(fluoromethyl)-2-hydroxy-2-[4-(methylsulfonyl)phenyl]ethyl]acetamide
  • Sch 25298
  • (-)-Florfenicol
  • Nuflor
  • Aquafen
  • Aquaflor
  • Floron
  • Flonicol
  • Topazone
  • Florgane
  • Selectan

Work with Florfenicol

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

Thiamphenicol15318-45-378 % similar Thiamphenicol glycinate hydrochloride2611-61-263 % similar (-)-Chloramphenicol56-75-746 % similar (2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate16255-48-439 % similar Chloramphenicol palmitate530-43-839 % similar 4-(Methylsulfonyl)phenylacetic acid90536-66-635 % similar 4-(Methylsulfonyl)benzoic acid4052-30-634 % similar Odanacatib603139-19-132 % similar

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

Same formula

Florfenicol73231-34-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook