chempirical

5,7-Difluoro-4(3H)-quinazolinone

C8H4F2N2OCAS 379228-58-7182.13 g/mol

Open in Covalent MOL file
OHNNFF
Aryl halidePhenol

Properties

Molecular formula
C8H4F2N2O
Molar mass
182.13 g/mol
Exact mass
182.0292 Da
logP
1.61Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
379228-58-7
SMILES
Oc1ncnc2cc(F)cc(F)c12
InChIKey
DIQRRDUOMDYXDK-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F2N2O/c9-4-1-5(10)7-6(2-4)11-3-12-8(7)13/h1-3H,(H,11,12,13)

Weigh it out

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

Names and synonyms

4 names
  • 4(3H)-Quinazolinone, 5,7-difluoro-
  • 4(1H)-Quinazolinone, 5,7-difluoro-
  • 5,7-Difluoro-3,4-dihydroquinazolin-4-one
  • 5,7-Difluoroquinazolin-4(3H)-one

Work with 5,7-Difluoro-4(3H)-quinazolinone

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

7-Fluoroquinazolin-4(3H)-one16499-57-353 % similar 5-Fluoro-6-hydroxy-4(3H)-pyrimidinone106615-61-641 % similar 2,4,6-Trifluorophenol2268-17-941 % similar 5-Fluoro-4(3H)-pyrimidinone671-35-240 % similar Quinazolinone491-36-135 % similar 1,2,3,5-Tetrafluorobenzene2367-82-034 % similar 2-Bromo-4,6-difluorophenol98130-56-434 % similar 6-Iodo-4(3H)-quinazolinone16064-08-734 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook