chempirical

1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole

C12H7F6NCAS 175136-60-4279.19 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C12H7F6N
Molar mass
279.19 g/mol
Exact mass
279.0483 Da
logP
4.51Crippen estimate
Polar surface area
4.9 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
175136-60-4
SMILES
C1=CN(C=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChIKey
BKSCRBOUGNMEKQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H7F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h1-7H

Weigh it out

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

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]pyrrole

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

1,3,5-Tris(trifluoromethyl)benzene729-81-755 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrole175205-51-347 % similar 3,5-Bis(trifluoromethyl)benzene402-31-346 % similar 1-(3-Trifluoromethylphenyl)imidazole25371-97-543 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-743 % similar Tris(3,5-bis(trifluoromethyl)phenyl)phosphine175136-62-643 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-143 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-343 % similar

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

Elsewhere

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