chempirical

4-(Trifluoromethyl)-1-indanone

C10H7F3OCAS 68755-42-0200.16 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideKetone

Properties

Molecular formula
C10H7F3O
Molar mass
200.16 g/mol
Exact mass
200.0449 Da
logP
2.83Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
68755-42-0
SMILES
C1CC(=O)C2=C1C(=CC=C2)C(F)(F)F
InChIKey
LJVBFMQEZSEGRL-UHFFFAOYSA-N
InChI
InChI=1S/C10H7F3O/c11-10(12,13)8-3-1-2-7-6(8)4-5-9(7)14/h1-3H,4-5H2

Weigh it out

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

Work with 4-(Trifluoromethyl)-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-Fluoro-1-indanone699-99-058 % similar 4-Chloroindan-1-one15115-59-056 % similar 4-Bromo-1-indanone15115-60-356 % similar 4-Methyl-1-indanone24644-78-854 % similar 4-Hydroxyindan-1-one40731-98-454 % similar 2-(Trifluoromethyl)propiophenone16185-96-953 % similar 2-(Trifluoromethyl)phenacyl bromide54109-16-953 % similar 4-Methoxy-2,3-dihydro-1H-inden-1-one13336-31-750 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook