1-Ethyl-3,5-difluorobenzene

C₈H₈F₂CAS 117358-52-8142.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈F₂
Molar mass: 142.15 g/mol
Exact mass: 142.0594 Da
logP: 2.53Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed97.5% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

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-Difluoro-5-propylbenzene183245-00-358 % similar 1,3,5-Triethylbenzene102-25-058 % similar 1-Ethyl-4-fluorobenzene459-47-257 % similar 1-Butyl-3,5-difluorobenzene1245649-46-054 % similar 3,5-Difluorobenzyl bromide141776-91-250 % similar 3,5-Difluorobenzyl chloride220141-71-950 % similar 1,3,5-Trifluorobenzene372-38-350 % similar 3,5-Difluorobenzyl alcohol79538-20-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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