chempirical

Diflucortolone

C22H28F2O4CAS 2607-06-9394.46 g/mol

Open in Covalent MOL file
FOFOHOHO
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H28F2O4
Molar mass
394.46 g/mol
Exact mass
394.1956 Da
Melting point
242 °C
logP
2.73Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
R, S, S, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
2607-06-9
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
InChIKey
OGPWIDANBSLJPC-RFPWEZLHSA-N
InChI
InChI=1S/C22H28F2O4/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-21(15,3)22(14,24)18(28)9-20(13,2)19(11)17(27)10-25/h4-5,7,11,13-14,16,18-19,25,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,18+,19-,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-16-methyl-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,21-dihydroxy-16α-methyl-
  • (6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 6α,9-Difluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • Difluocortolone

Work with Diflucortolone

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

Desoximetasone382-67-274 % similar Diflucortolone valerate59198-70-874 % similar Flucortolone152-97-659 % similar Flumetasone2135-17-358 % similar Diflorasone2557-49-558 % similar (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-157 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-255 % similar Fluocinolone 16,17-acetonide67-73-255 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook