chempirical

1-[4-(Trifluoromethyl)phenyl]-1H-pyrrole-2-carbaldehyde

C12H8F3NOCAS 156496-70-7239.20 g/mol

Open in Covalent MOL file
NOFFF
AldehydeAlkyl halide

Properties

Molecular formula
C12H8F3NO
Molar mass
239.20 g/mol
Exact mass
239.0558 Da
logP
3.31Crippen estimate
Polar surface area
22.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

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
156496-70-7
SMILES
C1=CN(C(=C1)C=O)C2=CC=C(C=C2)C(F)(F)F
InChIKey
FGKJQSVGKXECDA-UHFFFAOYSA-N
InChI
InChI=1S/C12H8F3NO/c13-12(14,15)9-3-5-10(6-4-9)16-7-1-2-11(16)8-17/h1-8H

Weigh it out

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Work with 1-[4-(Trifluoromethyl)phenyl]-1H-pyrrole-2-carbaldehyde

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

4-(Trifluoromethyl)benzaldehyde455-19-649 % similar 4′-Trifluoromethylbiphenyl-4-carboxaldehyde90035-34-045 % similar 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-443 % similar 1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-542 % similar 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-042 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-141 % similar 5-(Trifluoromethyl)pyridine-2-carbaldehyde31224-82-540 % similar 3-(Trifluoromethyl)benzaldehyde454-89-740 % similar

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

Elsewhere

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