chempirical

Win 35428

C16H20FNO2CAS 50370-56-4277.34 g/mol

Open in Covalent MOL file
OOFN
Aryl halideEsterTertiary amine

Properties

Molecular formula
C16H20FNO2
Molar mass
277.34 g/mol
Exact mass
277.1478 Da
Melting point
90.5–91.5 °C
logP
2.56Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
Stereocentres
S, S, S, Rin SMILES atom order

Identifiers

CAS number
50370-56-4
SMILES
COC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2C
InChIKey
QUSLQENMLDRCTO-YJNKXOJESA-N
InChI
InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-fluorophenyl)-8-methyl-, methyl ester, [1R-(exo,exo)]-
  • (-)-Win 35,428
  • O 381
  • β-CFT
  • CFT
  • 2β-Carbomethoxy-3β-(4′-fluorophenyl)tropane
  • Methyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

Work with Win 35428

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

Cocaine50-36-253 % similar 2-Carbomethoxytropinone36127-17-043 % similar (±)-Homatropine87-00-337 % similar (-)-Atropine101-31-535 % similar (±)-Atropine51-55-835 % similar Homatropine hydrobromide51-56-935 % similar Hyoscyamine hydrobromide306-03-633 % similar Methyl 4-fluorobenzoate403-33-833 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook