4-Fluoro-1-indanone

C9H7FOCAS 699-99-0150.15 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
logP
1.95Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
699-99-0
SMILES
C1CC(=O)C2=C1C(=CC=C2)F
InChIKey
HOMSJDBZHCPYHY-UHFFFAOYSA-N
InChI
InChI=1S/C9H7FO/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3H,4-5H2

Weigh it out

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

Work with 4-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

4-Chloroindan-1-one15115-59-061 % similar 4-Bromo-1-indanone15115-60-361 % similar 4-Methyl-1-indanone24644-78-859 % similar 4-Hydroxyindan-1-one40731-98-459 % similar 4-(Trifluoromethyl)-1-indanone68755-42-058 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-457 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-754 % similar 2,3-Dihydro-1-oxo-1H-indene-4-carbonitrile60899-34-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Fluoro-1-indanone1481-32-9 3-(4-Fluorophenyl)-2-propenal24654-55-5 7-Fluoroindan-1-one651735-59-0 5-Fluoro-1-indanone700-84-5

Elsewhere

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