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

C₁₀H₆F₆CAS 349-59-7240.15 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₁₀H₆F₆
Molar mass: 240.15 g/mol
Exact mass: 240.0374 Da
Density: 1.3341 g/mL (at 23 °C)
Melting point: 7–8 °C
Boiling point: 60 °C (at 20 Torr)
logP: 4.37Crippen 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
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

349-59-7

SMILES

C=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

LFICVUCVPKKPFF-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F6/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16/h2-5H,1H2

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-ethenyl-3,5-bis(trifluoromethyl)-
3,5-Bis(trifluoromethyl)styrene
3,5-Bis(trifluoromethyl)-1-vinylbenzene
3,5-Bis(trifluoromethyl)-1-ethenylbenzene
1,3-Bis(trifluoromethyl)-5-vinylbenzene

Work with 1-Ethenyl-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

1-Ethenyl-4-(trifluoromethyl)benzene402-50-662 % similar 1,3,5-Tris(trifluoromethyl)benzene729-81-757 % similar 3,5-Bis(trifluoromethyl)benzaldehyde401-95-656 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-744 % similar Tris(3,5-bis(trifluoromethyl)phenyl)phosphine175136-62-644 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-144 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-344 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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