chempirical

Trifluridine

C10H11F3N2O5CAS 70-00-8296.20 g/mol

Open in Covalent MOL file
ONOHFFFNOHHOO
AlcoholAlkyl halideEtherPhenol

Properties

Molecular formula
C10H11F3N2O5
Molar mass
296.20 g/mol
Exact mass
296.0620 Da
Melting point
186–189 °C
logP
-0.39Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
70-00-8
SMILES
O=c1nc(O)c(C(F)(F)F)cn1[C@H]1C[C@H](O)[C@@H](CO)O1
InChIKey
VSQQQLOSPVPRAZ-RRKCRQDMSA-N
InChI
InChI=1S/C10H11F3N2O5/c11-10(12,13)4-2-15(9(19)14-8(4)18)7-1-5(17)6(3-16)20-7/h2,5-7,16-17H,1,3H2,(H,14,18,19)/t5-,6+,7+/m0/s1

Weigh it out

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

Names and synonyms

12 names
  • Thymidine, α,α,α-trifluoro-
  • Uridine, 2′-deoxy-5-(trifluoromethyl)-
  • α,α,α-Trifluorothymidine
  • 5-(Trifluoromethyl)-2′-deoxyuridine
  • Trifluorothymidine
  • 2′-Deoxy-5-(trifluoromethyl)uridine
  • 5-(Trifluoromethyl)deoxyuridine
  • Viroptic
  • 5-Trifluoromethyl-2′-deoxy-β-uridine
  • 5-Trifluorothymidine
  • NSC 529182
  • NSC 75520

Work with Trifluridine

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

Floxuridine50-91-972 % similar Telbivudine3424-98-470 % similar Thymidine50-89-570 % similar Edoxudine15176-29-169 % similar 5-Chloro-2′-deoxyuridine50-90-869 % similar 5-Hydroxymethyl-2′-deoxyuridine5116-24-569 % similar 5-Iodo-2′-deoxyuridine54-42-269 % similar Bromodeoxyuridine59-14-369 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook