chempirical

Difloxacin

C21H19F2N3O3CAS 98106-17-3399.40 g/mol

Open in Covalent MOL file
NNFOOOHNF
Aryl halideCarboxylic acidTertiary amine

Properties

Molecular formula
C21H19F2N3O3
Molar mass
399.40 g/mol
Exact mass
399.1394 Da
Melting point
279–282 °C
logP
2.72Crippen estimate
Polar surface area
65.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3

Identifiers

CAS number
98106-17-3
SMILES
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1
InChIKey
NOCJXYPHIIZEHN-UHFFFAOYSA-N
InChI
InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)

Weigh it out

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

Names and synonyms

6 names
  • 3-Quinolinecarboxylic acid, 6-fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-
  • 6-Fluoro-1-(4-fluorophenyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
  • A 56619
  • Dicural
  • Difluoxacin
  • Pulsaflox

Work with Difloxacin

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

Sarafloxacin98105-99-879 % similar Sarafloxacin hydrochloride91296-87-675 % similar Pefloxacin70458-92-369 % similar Pefloxacin mesylate70458-95-660 % similar Norfloxacin70458-96-754 % similar Enrofloxacin93106-60-654 % similar Ciprofloxacin85721-33-152 % similar Norfloxacin hydrochloride104142-93-052 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook