chempirical

5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde

C11H8FNOCAS 881674-56-2189.19 g/mol

Open in Covalent MOL file
ONHF
AldehydeAryl halide

Properties

Molecular formula
C11H8FNO
Molar mass
189.19 g/mol
Exact mass
189.0590 Da
logP
2.63Crippen estimate
Polar surface area
32.9 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
881674-56-2
SMILES
O=Cc1c[nH]c(-c2ccccc2F)c1
InChIKey
MQULPEUCGKEHEG-UHFFFAOYSA-N
InChI
InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11-5-8(7-14)6-13-11/h1-7,13H

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Names and synonyms

1 names
  • 1H-Pyrrole-3-carboxaldehyde, 5-(2-fluorophenyl)-

Work with 5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde

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

5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile1240948-77-953 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-949 % similar 2-Fluorobenzaldehyde446-52-642 % similar 4-Fluoro-3-phenoxybenzaldehyde68359-57-941 % similar 2,2′-Difluoro-1,1′-biphenyl388-82-941 % similar 3,4-Difluorobenzaldehyde34036-07-241 % similar 2,6-Difluorobenzaldehyde437-81-039 % similar 3,4,5-Trifluorobenzaldehyde132123-54-738 % similar

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

Elsewhere

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