1,3,5-Tris(trifluoromethyl)benzene

C₉H₃F₉CAS 729-81-7282.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₃F₉
Molar mass: 282.11 g/mol
Exact mass: 282.0091 Da
logP: 4.74Crippen 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

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

Weigh it out

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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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