1-Ethynyl-3,5-bis(trifluoromethyl)benzene

C₁₀H₄F₆CAS 88444-81-9238.13 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₁₀H₄F₆
Molar mass: 238.13 g/mol
Exact mass: 238.0217 Da
logP: 3.71Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
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

88444-81-9

SMILES

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

InChIKey

MAHIBRPXUPUAIF-UHFFFAOYSA-N

InChI

InChI=1S/C10H4F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h1,3-5H

Weigh it out

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Names and synonyms

1 names

3,5-Bis(trifluoromethyl)phenylacetylene

Work with 1-Ethynyl-3,5-bis(trifluoromethyl)benzene

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'-Trifluoromethylphenyl acetylene705-31-762 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,5-Bis(trifluoromethyl)benzonitrile27126-93-856 % similar 1,3,5-Triethynylbenzene7567-63-750 % similar 3-[3,5-Bis(trifluoromethyl)phenyl]prop-2-yn-1-ol81613-61-847 % similar 5-Ethynyl-1,2,3-trifluorobenzene158816-55-846 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-744 % similar Tris[3,5-bis(trifluoromethyl)phenyl]phosphine175136-62-644 % similar

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

Elsewhere

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