1-[3,5-Bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrole

C₁₄H₁₁F₆NCAS 175205-51-3307.24 g/mol

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Properties

Molecular formula: C₁₄H₁₁F₆N
Molar mass: 307.24 g/mol
Exact mass: 307.0796 Da
logP: 5.13Crippen estimate
Polar surface area: 4.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

175205-51-3

SMILES

CC1=CC=C(N1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C

InChIKey

KUDHKDYSHKOCTC-UHFFFAOYSA-N

InChI

InChI=1S/C14H11F6N/c1-8-3-4-9(2)21(8)12-6-10(13(15,16)17)5-11(7-12)14(18,19)20/h3-7H,1-2H3

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Names and synonyms

1 names

1-[3,5-Bis(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrole

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrole

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

2,5-Dimethyl-1-phenylpyrrole83-24-943 % similar 3,5-Bis(trifluoromethyl)benzene402-31-341 % similar 1-(4-Bromophenyl)-2,5-dimethyl-1H-pyrrole5044-24-639 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-739 % similar Tris[3,5-bis(trifluoromethyl)phenyl]phosphine175136-62-639 % similar 1-Bromo-3,5-bis(trifluoromethyl)benzene328-70-139 % similar 1-Chloro-3,5-bis(trifluoromethyl)benzene328-72-339 % similar 1-Iodo-3,5-bis(trifluoromethyl)benzene328-73-439 % similar

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

Elsewhere

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