3,4-Difluorophenylacetylene

C₈H₄F₂CAS 143874-13-9138.12 g/mol

Open in Covalent MOL file

Alkyne Aryl halide

Properties

Molecular formula: C₈H₄F₂
Molar mass: 138.12 g/mol
Exact mass: 138.0281 Da
logP: 1.95Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

143874-13-9

SMILES

C#CC1=CC(=C(C=C1)F)F

InChIKey

XFPAOXIWRDDQGG-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H

Weigh it out

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

Work with 3,4-Difluorophenylacetylene

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-Ethynyl-1,2,3-trifluorobenzene158816-55-858 % similar 3,4-Difluorobenzonitrile64248-62-056 % similar 1-Ethynyl-3-fluorobenzene2561-17-350 % similar 1-Ethynyl-4-fluorobenzene766-98-350 % similar 1,4-Diethynylbenzene935-14-850 % similar 1,3-Diethynylbenzene1785-61-148 % similar 4-Ethynyl-1,2-dimethoxybenzene4302-52-747 % similar 1,3,5-Triethynylbenzene7567-63-743 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook