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

C10H4F6CAS 88444-81-9238.13 g/mol

Open in Covalent MOL file
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Alkyl halideAlkyne

Properties

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

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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

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

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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