chempirical

1-Ethyl-3,5-difluorobenzene

C8H8F2CAS 117358-52-8142.15 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C8H8F2
Molar mass
142.15 g/mol
Exact mass
142.0594 Da
logP
2.53Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
117358-52-8
SMILES
CCC1=CC(=CC(=C1)F)F
InChIKey
PFINYKRPUJCMCT-UHFFFAOYSA-N
InChI
InChI=1S/C8H8F2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3

Weigh it out

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

Work with 1-Ethyl-3,5-difluorobenzene

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

1,3,5-Triethylbenzene102-25-058 % similar 1-Ethyl-4-fluorobenzene459-47-257 % similar 1-Butyl-3,5-difluorobenzene1245649-46-054 % similar 1,3,5-Trifluorobenzene372-38-350 % similar 3,5-Difluorobenzylamine90390-27-550 % similar 3,5-Difluorophenylacetonitrile122376-76-544 % similar 3,5-Difluorotoluene117358-51-743 % similar 1,4-Diethylbenzene105-05-543 % similar

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

Elsewhere

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