chempirical

7-Fluoro-4-chromanone

C9H7FO2CAS 113209-68-0166.15 g/mol

Open in Covalent MOL file
OOF
Aryl halideEtherKetone

Properties

Molecular formula
C9H7FO2
Molar mass
166.15 g/mol
Exact mass
166.0430 Da
logP
1.79Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
113209-68-0
SMILES
C1COC2=C(C1=O)C=CC(=C2)F
InChIKey
HRPULQFHSZKTNA-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2

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

Names and synonyms

1 names
  • 7-Fluoro-3,4-dihydro-2H-1-benzopyran-4-one

Work with 7-Fluoro-4-chromanone

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

Chromanone491-37-257 % similar 5-Fluoro-1-indanone700-84-554 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-654 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-251 % similar 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-950 % similar 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-848 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-048 % similar 6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one21243-18-546 % similar

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

Same formula

4-Fluoro-7-hydroxy-1-indanone136191-16-7 trans-4-Fluorocinnamic acid14290-86-9 (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-6 2-Fluoro-3-phenyl-2-propenoic acid350-90-3 3-(2-Fluorophenyl)-2-propenoic acid451-69-4 3-(3-Fluorophenyl)-2-propenoic acid458-46-8 3-(4-Fluorophenyl)-2-propenoic acid459-32-5 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-0

Elsewhere

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