chempirical

Tafluprost

C25H34F2O5CAS 209860-87-7452.54 g/mol

Open in Covalent MOL file
OOFFOHOOH
AlcoholAlkeneAlkyl halideEsterEther

Properties

Molecular formula
C25H34F2O5
Molar mass
452.54 g/mol
Exact mass
452.2374 Da
logP
4.68Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
12
Stereocentres
R, R, R, Sin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
209860-87-7
SMILES
CC(C)OC(=O)CCC/C=CC[C@@H]1[C@@H](/C=C/C(F)(F)COc2ccccc2)[C@H](O)C[C@@H]1O
InChIKey
WSNODXPBBALQOF-VEJSHDCNSA-N
InChI
InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3-,15-14+/t20-,21-,22+,23-/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
  • 5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, 1-methylethyl ester, (5Z)-
  • AFP 168
  • MK 2452
  • Tapros
  • Taflotan
  • Saflutan
  • Ziotan

Work with Tafluprost

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

17-Phenyl trinor pgf2alpha-ipr130209-76-664 % similar Travoprost157283-68-663 % similar Latanoprost130209-82-455 % similar Isopropyl unoprostone120373-24-246 % similar Cloprostenol40665-92-745 % similar D-Cloprostenol54276-21-045 % similar Cloprostenol sodium salt55028-72-343 % similar (15R)-Bimatoprost1163135-92-942 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook