chempirical

1-(7-Bromo-9,9-difluoro-9H-fluoren-2-yl)-2-chloroethanone

C15H8BrClF2OCAS 1378387-81-5357.58 g/mol

Open in Covalent MOL file
OClFFBr
Alkyl halideAryl halideKetone

Properties

Molecular formula
C15H8BrClF2O
Molar mass
357.58 g/mol
Exact mass
355.9415 Da
logP
4.99Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
1378387-81-5
SMILES
O=C(CCl)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2
InChIKey
KHQZXVZXRCFXSC-UHFFFAOYSA-N
InChI
InChI=1S/C15H8BrClF2O/c16-9-2-4-11-10-3-1-8(14(20)7-17)5-12(10)15(18,19)13(11)6-9/h1-6H,7H2

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Names and synonyms

2 names
  • Ethanone, 1-(7-bromo-9,9-difluoro-9H-fluoren-2-yl)-2-chloro-
  • 1-(7-Bromo-9,9-difluorofluoren-2-yl)-2-chloroethanone

Work with 1-(7-Bromo-9,9-difluoro-9H-fluoren-2-yl)-2-chloroethanone

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

2,7-Dibromo-9,9-difluorofluorene1229603-71-758 % similar 1-(4-Bromophenyl)-2-chloroethanone4209-02-355 % similar 2-Chloro-1-(3,4-difluorophenyl)ethanone51336-95-944 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-144 % similar 2-Chloro-1-(3,4-dichlorophenyl)ethanone42981-08-842 % similar 2-Chloro-4′-fluoroacetophenone456-04-241 % similar 2-Chloro-1-(4-hydroxyphenyl)ethanone6305-04-041 % similar 1-(4-Bromophenyl)-3-chloro-1-propanone31736-73-939 % similar

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

Elsewhere

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