chempirical

4-(4-Fluorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde

C13H10FNO2CAS 128843-61-8231.23 g/mol

Open in Covalent MOL file
NOOF
AldehydeAryl halideKetone

Properties

Molecular formula
C13H10FNO2
Molar mass
231.23 g/mol
Exact mass
231.0696 Da
logP
2.21Crippen estimate
Polar surface area
39.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
128843-61-8
SMILES
CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)F
InChIKey
GNMRXQTZWYXHMO-UHFFFAOYSA-N
InChI
InChI=1S/C13H10FNO2/c1-15-7-10(6-12(15)8-16)13(17)9-2-4-11(14)5-3-9/h2-8H,1H3

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Work with 4-(4-Fluorobenzoyl)-1-methyl-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

4,4'-Difluorobenzophenone345-92-650 % similar 4-Fluorobenzophenone345-83-545 % similar (4-Fluorophenyl)(4-methoxyphenyl)methanone345-89-143 % similar 4-Fluoro-4′-hydroxybenzophenone25913-05-743 % similar 2,4′-Difluorobenzophenone342-25-640 % similar 4′-Fluoroacetophenone403-42-939 % similar (2-Chlorophenyl)(4-fluorophenyl)methanone1806-23-138 % similar (4-Fluorophenyl)-2-thienylmethanone579-49-736 % similar

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

Elsewhere

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