2'-Trifluoromethylphenyl acetylene

C₉H₅F₃CAS 704-41-6170.13 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₉H₅F₃
Molar mass: 170.13 g/mol
Exact mass: 170.0343 Da
logP: 2.69Crippen 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

704-41-6

SMILES

C#CC1=CC=CC=C1C(F)(F)F

InChIKey

OOZKONVIIMFOKW-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h1,3-6H

Weigh it out

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

Names and synonyms

1 names

1-Ethynyl-2-(trifluoromethyl)benzene

Work with 2'-Trifluoromethylphenyl acetylene

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

2-(Trifluoromethyl)benzonitrile447-60-961 % similar 1,2-Bis(trifluoromethyl)benzene433-95-454 % similar 1-Ethynyl-2-fluorobenzene766-49-448 % similar 2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-147 % similar 2-Amino-3-(trifluoromethyl)benzonitrile58458-14-346 % similar 2,6-Bis(trifluoromethyl)benzonitrile25753-25-745 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % similar 2-Fluorobenzotrifluoride392-85-845 % similar

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

Same formula

4'-Trifluoromethylphenyl acetylene705-31-7

Elsewhere

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