chempirical

Flocoumafen

C33H25F3O4CAS 90035-08-8542.55 g/mol

Open in Covalent MOL file
OOHOOFFF
Alkyl halideEtherPhenol

Properties

Molecular formula
C33H25F3O4
Molar mass
542.55 g/mol
Exact mass
542.1705 Da
Density
1.2 g/mL
Melting point
181 °C
logP
7.96Crippen estimate
Polar surface area
59.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
90035-08-8
SMILES
O=c1oc2ccccc2c(O)c1C1CC(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21
InChIKey
KKBGNYHHEIAGOH-UHFFFAOYSA-N
InChI
InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2

Weigh it out

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

Names and synonyms

5 names
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1,2,3,4-tetrahydro-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-naphthalenyl]-
  • 4-Hydroxy-3-[1,2,3,4-tetrahydro-3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1-naphthalenyl]-2H-1-benzopyran-2-one
  • WL 108366
  • Storm
  • Storm (rodenticide)

Work with Flocoumafen

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

Difenacoum56073-07-564 % similar Brodifacoum56073-10-061 % similar Coumatetralyl5836-29-349 % similar Phenprocoumon435-97-241 % similar Bromadiolone28772-56-740 % similar (-)-Warfarin5543-57-738 % similar (±)-Warfarin81-81-238 % similar Coumachlor81-82-337 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia