1,3,5-Tris(trifluoromethyl)benzene

C9H3F9CAS 729-81-7282.11 g/mol

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Alkyl halide

Properties

Molecular formula
C9H3F9
Molar mass
282.11 g/mol
Exact mass
282.0091 Da
logP
4.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 46 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
729-81-7
SMILES
C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIKey
ZMAUHKSOLPYPDB-UHFFFAOYSA-N
InChI
InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H

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Names and synonyms

1 names
  • Benzene, 1,3,5-tris(trifluoromethyl)-

Work with 1,3,5-Tris(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

3,5-Bis(trifluoromethyl)benzenethiol130783-02-767 % similar Tris(3,5-bis(trifluoromethyl)phenyl)phosphine175136-62-667 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-167 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-367 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-467 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-567 % similar 3,5-Bis(trifluoromethyl)phenol349-58-667 % similar 3,5-Bis(trifluoromethyl)toluene75462-61-267 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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