chempirical

5-Fluoro-1-indanone

C9H7FOCAS 700-84-5150.15 g/mol

Open in Covalent MOL file
OF
Aryl halideKetone

Properties

Molecular formula
C9H7FO
Molar mass
150.15 g/mol
Exact mass
150.0481 Da
Boiling point
61–66 °C (at NaN Torr)
logP
1.95Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
700-84-5
SMILES
O=C1CCc2cc(F)ccc21
InChIKey
WVPPBVAMKNQXJA-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

Weigh it out

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

Names and synonyms

4 names
  • 1H-Inden-1-one, 5-fluoro-2,3-dihydro-
  • 1-Indanone, 5-fluoro-
  • 5-Fluoro-2,3-dihydro-1H-inden-1-one
  • 5-Fluoro-2,3-dihydroinden-1-one

Work with 5-Fluoro-1-indanone

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

5-Bromo-1-indanone34598-49-759 % similar 5-Chloro-1-indanone42348-86-759 % similar 7-Fluoro-4-chromanone113209-68-054 % similar 5-Methoxy-1-indanone5111-70-654 % similar 1-Indanone83-33-053 % similar 5,7-Difluoro-2,3-dihydro-1H-inden-1-one84315-25-353 % similar 3-(2',4'-Difluorobenzoyl)propionic acid110931-77-650 % similar 6-Fluoro-2,3-dihydro-4H-1-benzothiopyran-4-one21243-18-550 % similar

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

Same formula

3-(4-Fluorophenyl)-2-propenal24654-55-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook