chempirical

Tafluprost acid

C22H28F2O5CAS 209860-88-8410.46 g/mol

Open in Covalent MOL file
HOOFFOOHOH
AlcoholAlkeneAlkyl halideCarboxylic acidEther

Properties

Molecular formula
C22H28F2O5
Molar mass
410.46 g/mol
Exact mass
410.1905 Da
logP
3.82Crippen estimate
Polar surface area
87.0 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
11
Stereocentres
S, R, R, Rin SMILES atom order
Double bonds
E, ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
209860-88-8
SMILES
C1[C@@H]([C@@H]([C@H]([C@@H]1O)/C=C/C(COC2=CC=CC=C2)(F)F)C/C=C\CCCC(=O)O)O
InChIKey
KIQXRQVVYTYYAZ-VKVYFNERSA-N
InChI
InChI=1S/C22H28F2O5/c23-22(24,15-29-16-8-4-3-5-9-16)13-12-18-17(19(25)14-20(18)26)10-6-1-2-7-11-21(27)28/h1,3-6,8-9,12-13,17-20,25-26H,2,7,10-11,14-15H2,(H,27,28)/b6-1-,13-12+/t17-,18-,19+,20-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • 9Alpha,11alpha-dihydroxy-15,15-difluoro-16-phenoxy-17,18,19,20-tetranor-prosta-5Z,13E-dien-1-oic acid

Work with Tafluprost acid

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

Tafluprost209860-87-775 % similar Cloprostenol40665-92-759 % similar D-Cloprostenol54276-21-059 % similar Carboprost35700-23-352 % similar Latanoprost acid41639-83-251 % similar Prostaglandin F2551-11-149 % similar Carboprost tromethamine58551-69-246 % similar Travoprost157283-68-646 % similar

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

Same formula

Flumetasone2135-17-3 Diflorasone2557-49-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook